feat(M11.2-M11.4): combine Liouville tensor, QDO interactions, and optional QCD

openwave/xperiments/m11_cat_ept_soliton_qdo/__init__.py

@@ -1,9 +1,13 @@
 """M11 CAT/EPT pointwise soliton--Liouville--QDO particle model."""
-from .pointwise_soliton_carrier_m111 import (
-    PointwiseSolitonConfig, PointwiseSolitonState,
-    construct_pointwise_soliton, run_pointwise_soliton_study,
-)
+from .pointwise_soliton_carrier_m111 import PointwiseSolitonConfig, PointwiseSolitonState, construct_pointwise_soliton, run_pointwise_soliton_study
+from .liouville_soliton_tensor_m112 import LiouvilleTensorConfig, LiouvilleTensorState, construct_liouville_tensor, run_liouville_tensor_study
+from .qdo_lj_atm_interaction_m113 import QDOLJATMConfig, run_qdo_lj_atm_study
+from .optional_qcd_coupling_m114 import OptionalQCDConfig, run_optional_qcd_study
 __all__ = [
     "PointwiseSolitonConfig", "PointwiseSolitonState",
-    "construct_pointwise_soliton", "run_pointwise_soliton_study",
+    "LiouvilleTensorConfig", "LiouvilleTensorState", "QDOLJATMConfig",
+    "OptionalQCDConfig", "construct_pointwise_soliton",
+    "run_pointwise_soliton_study", "construct_liouville_tensor",
+    "run_liouville_tensor_study", "run_qdo_lj_atm_study",
+    "run_optional_qcd_study",
 ]

openwave/xperiments/m11_cat_ept_soliton_qdo/formal/liouville_soliton_tensor.v1.json

@@ -0,0 +1,19 @@
+{
+  "schema": "openwave.m11.liouville-soliton-tensor-ledger.v1",
+  "model_id": "M11",
+  "milestone": "M11.2",
+  "formal_repository": "jagg-ix/entropic-physlib-private",
+  "formal_branch": "entropic-physlib-linear-full",
+  "formal_head": "8bafa9ab93cbb39e85909fc3837bb4b6e0dec748",
+  "equations": [
+    {"id": "pure-density-tensor", "equation": "rho_ij=a_i conjugate(a_j)", "numerical_source": "construct_liouville_tensor"},
+    {"id": "pointwise-actions", "equation": "L_a R_b rho=R_b L_a rho", "formal_theorem": "leftPointwise_rightPointwise_commute"},
+    {"id": "fixed-particle-sector", "equation": "sum_k n_k=N", "formal_theorem": "kernelOccupationBasis_particleNumber"}
+  ],
+  "formal_sources": [
+    {"path": "Physlib/QuantumMechanics/OpenSystems/LiouvilleSecondQuantization.lean", "sha": "9d2c905c940480f1ed570cf0be965d5a9b6c4831", "theorem": "leftPointwise_rightPointwise_commute"},
+    {"path": "Physlib/QuantumMechanics/OpenSystems/LiouvilleSecondQuantization.lean", "sha": "9d2c905c940480f1ed570cf0be965d5a9b6c4831", "theorem": "kernelMode_infinite"},
+    {"path": "Physlib/QuantumMechanics/OpenSystems/LiouvilleSecondQuantization.lean", "sha": "9d2c905c940480f1ed570cf0be965d5a9b6c4831", "theorem": "kernelOccupationBasis_particleNumber"},
+    {"path": "Physlib/QuantumMechanics/OpenSystems/LiouvilleSecondQuantization.lean", "sha": "9d2c905c940480f1ed570cf0be965d5a9b6c4831", "theorem": "continuumKernelNormSq_nonneg"}
+  ]
+}

openwave/xperiments/m11_cat_ept_soliton_qdo/formal/optional_qcd_coupling.v1.json

@@ -0,0 +1,15 @@
+{
+  "schema": "openwave.m11.optional-qcd-coupling-ledger.v1",
+  "model_id": "M11",
+  "milestone": "M11.4",
+  "formal_repository": "jagg-ix/entropic-physlib-private",
+  "formal_branch": "entropic-physlib-linear-full",
+  "formal_head": "8bafa9ab93cbb39e85909fc3837bb4b6e0dec748",
+  "reuses": ["M10.5", "M10.6", "M10.7"],
+  "formal_sources": [
+    {"path": "Physlib/QuantumMechanics/ComplexAction/YangMillsGaugeDynamics.lean", "sha": "4fe7ae3471057b5c7b64fc22705d76f854d66766", "theorem": "yangMillsEquation_gauge_covariant"},
+    {"path": "Physlib/QuantumMechanics/ComplexAction/Particles/GellMannStructureConstants.lean", "sha": "b721ea5e04a72430a81d84c6a0a6c20b3f9558a0", "theorem": "gellMann_structure_constants"},
+    {"path": "Physlib/QuantumMechanics/ComplexAction/Particles/SuNGaugeSector.lean", "sha": "4585ddf9bc44396b5f9dce14321c4d6b2826cb8a", "theorem": "su3_adjoint_eq_gluonCount"},
+    {"path": "Physlib/QuantumMechanics/ComplexAction/HorizonCell/QCDComplexActionUnification.lean", "sha": "c5d7108ec4781eee3068898d0d844b689230a6fa", "theorem": "qcd_theta_confinement_factorization"}
+  ]
+}

openwave/xperiments/m11_cat_ept_soliton_qdo/formal/qdo_lj_atm_interaction.v1.json

@@ -0,0 +1,21 @@
+{
+  "schema": "openwave.m11.qdo-lj-atm-interaction-ledger.v1",
+  "model_id": "M11",
+  "milestone": "M11.3",
+  "formal_repository": "jagg-ix/entropic-physlib-private",
+  "formal_branch": "entropic-physlib-linear-full",
+  "formal_head": "8bafa9ab93cbb39e85909fc3837bb4b6e0dec748",
+  "equations": [
+    {"id": "lj-split", "equation": "E_LJ=ljRepulsive-ljAttractive", "formal_theorem": "ljPotential_split"},
+    {"id": "lj-tail", "equation": "-ljAttractive=-C6_LJ/r^6", "formal_theorem": "lj_tail_dispersion_form"},
+    {"id": "qdo-c6", "equation": "C6_LJ=C6_QDO=3/4 alpha1^2 hbar omega", "formal_theorem": "lj_tail_is_qdo_C6"},
+    {"id": "qdo-c9", "equation": "alpha1 C6=4 C9", "formal_theorem": "lattice_couplings_qdo_related"}
+  ],
+  "formal_sources": [
+    {"path": "Physlib/QuantumMechanics/ComplexAction/Particles/LennardJonesAxilrodTeller.lean", "sha": "93f5e1b55d1fbfe44dc5b8106b7331d08bdb5159", "theorem": "ljPotential_split"},
+    {"path": "Physlib/QuantumMechanics/ComplexAction/Particles/LennardJonesAxilrodTeller.lean", "sha": "93f5e1b55d1fbfe44dc5b8106b7331d08bdb5159", "theorem": "lj_tail_dispersion_form"},
+    {"path": "Physlib/QuantumMechanics/ComplexAction/Particles/LennardJonesAxilrodTeller.lean", "sha": "93f5e1b55d1fbfe44dc5b8106b7331d08bdb5159", "theorem": "lj_tail_eq_vdw_dispersionEnergy"},
+    {"path": "Physlib/QuantumMechanics/ComplexAction/Particles/LennardJonesAxilrodTeller.lean", "sha": "93f5e1b55d1fbfe44dc5b8106b7331d08bdb5159", "theorem": "lj_tail_is_qdo_C6"},
+    {"path": "Physlib/QuantumMechanics/ComplexAction/Particles/LennardJonesAxilrodTeller.lean", "sha": "93f5e1b55d1fbfe44dc5b8106b7331d08bdb5159", "theorem": "lattice_couplings_qdo_related"}
+  ]
+}

openwave/xperiments/m11_cat_ept_soliton_qdo/liouville_soliton_tensor_m112.py

@@ -0,0 +1,198 @@
+"""M11.2 continuum/infinite-mode Liouville tensor of the M11.1 soliton."""
+from __future__ import annotations
+
+from dataclasses import asdict, dataclass
+from hashlib import sha256
+import json
+from typing import Any, Mapping
+
+import numpy as np
+
+from .pointwise_soliton_carrier_m111 import (
+    PointwiseSolitonConfig,
+    construct_pointwise_soliton,
+)
+
+MILESTONE = "M11.2"
+SCHEMA = "openwave.m11.liouville-soliton-tensor.v1"
+FORMAL_HEAD = "8bafa9ab93cbb39e85909fc3837bb4b6e0dec748"
+FORMAL_SOURCES = (
+    {
+        "path": "Physlib/QuantumMechanics/OpenSystems/LiouvilleSecondQuantization.lean",
+        "sha": "9d2c905c940480f1ed570cf0be965d5a9b6c4831",
+        "theorem": "leftPointwise_rightPointwise_commute",
+    },
+    {
+        "path": "Physlib/QuantumMechanics/OpenSystems/LiouvilleSecondQuantization.lean",
+        "sha": "9d2c905c940480f1ed570cf0be965d5a9b6c4831",
+        "theorem": "kernelMode_infinite",
+    },
+    {
+        "path": "Physlib/QuantumMechanics/OpenSystems/LiouvilleSecondQuantization.lean",
+        "sha": "9d2c905c940480f1ed570cf0be965d5a9b6c4831",
+        "theorem": "kernelOccupationBasis_particleNumber",
+    },
+    {
+        "path": "Physlib/QuantumMechanics/OpenSystems/LiouvilleSecondQuantization.lean",
+        "sha": "9d2c905c940480f1ed570cf0be965d5a9b6c4831",
+        "theorem": "continuumKernelNormSq_nonneg",
+    },
+)
+
+
+def _canonical_json(value: Mapping[str, Any]) -> str:
+    return json.dumps(value, sort_keys=True, separators=(",", ":"), default=str)
+
+
+@dataclass(frozen=True)
+class LiouvilleTensorConfig:
+    mode_count: int = 96
+    refinement_modes: tuple[int, ...] = (16, 32, 64, 96)
+    particle_number: int = 3
+
+    def validate(self, grid_points: int) -> None:
+        if self.mode_count < 8 or self.mode_count > grid_points:
+            raise ValueError("mode_count must fit inside the pointwise grid")
+        if any(mode < 4 or mode > self.mode_count for mode in self.refinement_modes):
+            raise ValueError("refinement modes must lie in [4, mode_count]")
+        if tuple(sorted(self.refinement_modes)) != self.refinement_modes:
+            raise ValueError("refinement modes must be increasing")
+        if self.particle_number < 0:
+            raise ValueError("particle number must be nonnegative")
+
+
+@dataclass(frozen=True)
+class LiouvilleTensorState:
+    config: LiouvilleTensorConfig
+    full_amplitudes: np.ndarray
+    selected_indices: np.ndarray
+    amplitudes: np.ndarray
+    density_matrix: np.ndarray
+    retained_probability: float
+
+
+def _centered_indices(length: int, count: int) -> np.ndarray:
+    shifted = np.arange(length) - length // 2
+    order = np.argsort(np.abs(shifted), kind="stable")
+    return np.sort(order[:count])
+
+
+def construct_liouville_tensor(
+    config: LiouvilleTensorConfig | None = None,
+    soliton_config: PointwiseSolitonConfig | None = None,
+) -> LiouvilleTensorState:
+    cfg = LiouvilleTensorConfig() if config is None else config
+    soliton = construct_pointwise_soliton(soliton_config)
+    cfg.validate(soliton.config.grid_points)
+    coordinate_vector = np.asarray(soliton.psi * np.sqrt(soliton.dx), dtype=np.complex128)
+    coordinate_vector /= np.linalg.norm(coordinate_vector)
+    full = np.fft.fftshift(np.fft.fft(coordinate_vector, norm="ortho"))
+    indices = _centered_indices(full.size, cfg.mode_count)
+    raw = full[indices]
+    retained = float(np.vdot(raw, raw).real)
+    amplitudes = np.asarray(raw / np.linalg.norm(raw), dtype=np.complex128)
+    density = np.outer(amplitudes, np.conj(amplitudes))
+    return LiouvilleTensorState(cfg, full, indices, amplitudes, density, retained)
+
+
+def left_pointwise_action(multiplier: np.ndarray, kernel: np.ndarray) -> np.ndarray:
+    return np.asarray(multiplier[:, None] * kernel, dtype=np.complex128)
+
+
+def right_pointwise_action(multiplier: np.ndarray, kernel: np.ndarray) -> np.ndarray:
+    return np.asarray(kernel * multiplier[None, :], dtype=np.complex128)
+
+
+def fixed_particle_occupation(mode_count: int, particle_number: int) -> np.ndarray:
+    occupation = np.zeros(mode_count, dtype=np.int64)
+    for index in range(particle_number):
+        occupation[index % mode_count] += 1
+    return occupation
+
+
+def _retained_probability(full: np.ndarray, count: int) -> float:
+    indices = _centered_indices(full.size, count)
+    values = full[indices]
+    return float(np.vdot(values, values).real)
+
+
+def canonical_payload(config: LiouvilleTensorConfig | None = None) -> dict[str, Any]:
+    cfg = LiouvilleTensorConfig() if config is None else config
+    return {
+        "schema": SCHEMA,
+        "model_id": "M11",
+        "milestone": MILESTONE,
+        "configuration": asdict(cfg),
+        "study_api": (
+            "openwave.xperiments.m11_cat_ept_soliton_qdo."
+            "liouville_soliton_tensor_m112:run_liouville_tensor_study"
+        ),
+        "formal_authority": {
+            "repository": "jagg-ix/entropic-physlib-private",
+            "branch": "entropic-physlib-linear-full",
+            "head": FORMAL_HEAD,
+            "sources": list(FORMAL_SOURCES),
+        },
+    }
+
+
+def fingerprint(payload: Mapping[str, Any] | None = None) -> str:
+    selected = canonical_payload() if payload is None else dict(payload)
+    return sha256(_canonical_json(selected).encode()).hexdigest()
+
+
+def run_liouville_tensor_study(
+    config: LiouvilleTensorConfig | None = None,
+) -> dict[str, Any]:
+    state = construct_liouville_tensor(config)
+    rho = state.density_matrix
+    eigenvalues = np.linalg.eigvalsh(rho)
+    multiplier_left = np.exp(0.013j * np.arange(rho.shape[0]))
+    multiplier_right = np.exp(-0.017j * np.arange(rho.shape[0]))
+    left_right = left_pointwise_action(
+        multiplier_left, right_pointwise_action(multiplier_right, rho)
+    )
+    right_left = right_pointwise_action(
+        multiplier_right, left_pointwise_action(multiplier_left, rho)
+    )
+    occupation = fixed_particle_occupation(
+        state.config.mode_count, state.config.particle_number
+    )
+    retained = [
+        _retained_probability(state.full_amplitudes, count)
+        for count in state.config.refinement_modes
+    ]
+    diagnostics = {
+        "trace_error": abs(np.trace(rho) - 1.0),
+        "hermiticity_error": float(np.linalg.norm(rho - rho.conj().T)),
+        "purity_error": float(np.linalg.norm(rho @ rho - rho)),
+        "minimum_eigenvalue": float(eigenvalues.min()),
+        "largest_eigenvalue_error": abs(float(eigenvalues.max()) - 1.0),
+        "pointwise_action_commutator": float(np.linalg.norm(left_right - right_left)),
+        "particle_number": int(np.sum(occupation)),
+        "retained_probability": state.retained_probability,
+        "refinement_retained_probability": retained,
+        "continuum_kernel_norm_sq": float(np.vdot(rho, rho).real),
+    }
+    acceptance = {
+        "trace_one": diagnostics["trace_error"] < 5.0e-13,
+        "hermitian": diagnostics["hermiticity_error"] < 5.0e-13,
+        "rank_one_pure": diagnostics["purity_error"] < 5.0e-13,
+        "positive_semidefinite": diagnostics["minimum_eigenvalue"] > -5.0e-13,
+        "one_unit_eigenvalue": diagnostics["largest_eigenvalue_error"] < 5.0e-13,
+        "pointwise_actions_commute": diagnostics["pointwise_action_commutator"] < 5.0e-13,
+        "fixed_particle_number": diagnostics["particle_number"] == state.config.particle_number,
+        "mode_refinement_monotone": all(
+            later + 1.0e-15 >= earlier for earlier, later in zip(retained, retained[1:])
+        ),
+        "cutoff_retains_signal": diagnostics["retained_probability"] > 0.999,
+    }
+    payload = canonical_payload(state.config)
+    return {
+        **payload,
+        "task": "M11.2",
+        "diagnostics": diagnostics,
+        "acceptance": acceptance,
+        "fingerprint": fingerprint(payload),
+        "passed": all(acceptance.values()),
+    }