// DNA Mathematical Architecture: 44×44 Eigenvalue Spectrum // Matrix Blocks — Spectral Analysis — Band Structure #pragma once #include "dna_helix.hpp" #include #include #include #include #include namespace agi::dna { // ============================================================================ // XI. EIGENVALUE SPECTRUM - 44×44 MATRIX SYSTEM // ============================================================================ // Coupling parameters (tunable) struct CouplingParams { double alpha = 0.1; // Intra-strand coupling double beta_0 = 0.05; // Inter-strand base coupling double gamma = 0.02; // Cross-helix coupling double gamma_0 = 0.01; // Cross-helix decay double eta = 0.005; // Cross-helix neighbor coupling double kappa_intra = 0.1; // Intra-strand spring double xi = 1.0; // Decay length scale }; // ============================================================================ // 11.1 INTRA-STRAND BLOCK (16×16) // ============================================================================ class IntraStrandBlock { private: std::array, NUM_STRANDS> M_; CouplingParams params_; public: explicit IntraStrandBlock(const CouplingParams& p = {}) : params_(p) { build_matrix(); } // Matrix form (Section 11.1): // M_intra = -2α·I₁₆ + α·T₁₆ + κ_intra·D₁₆(10.6) // where D₁₆(10.6) = diag[cos(2π·k/10.6)] void build_matrix() { // Initialize to zero for (auto& row : M_) row.fill(0.0); for (int i = 0; i < NUM_STRANDS; ++i) { // Diagonal: -2α + κ_intra·cos(2π(i+1)/10.6) double cos_term = std::cos(2.0 * M_PI * (i + 1) / BASE_PAIRS_PER_TURN); M_[i][i] = -2.0 * params_.alpha + params_.kappa_intra * cos_term; // Off-diagonal tridiagonal (ring): α int prev = (i - 1 + NUM_STRANDS) % NUM_STRANDS; int next = (i + 1) % NUM_STRANDS; M_[i][prev] = params_.alpha; M_[i][next] = params_.alpha; } } // Analytical eigenvalues (Section 11.1): // λ_intra(n) = -2α + 2α·cos(2πn/16) + κ_intra·cos(2πn/10.6) double eigenvalue(int n) const { double cos_16 = std::cos(2.0 * M_PI * n / NUM_STRANDS); double cos_10_6 = std::cos(2.0 * M_PI * n / BASE_PAIRS_PER_TURN); return -2.0 * params_.alpha + 2.0 * params_.alpha * cos_16 + params_.kappa_intra * cos_10_6; } // Compute all eigenvalues std::array all_eigenvalues() const { std::array eigs; for (int n = 0; n < NUM_STRANDS; ++n) { eigs[n] = eigenvalue(n); } std::sort(eigs.begin(), eigs.end()); return eigs; } // Band limits: λ_intra ∈ [-4α - κ_intra, κ_intra] std::pair band_limits() const { return { -4.0 * params_.alpha - params_.kappa_intra, params_.kappa_intra }; } const auto& matrix() const { return M_; } }; // ============================================================================ // 11.2 INTER-STRAND BLOCK (16×16) // ============================================================================ class InterStrandBlock { private: std::array, NUM_STRANDS> M_; CouplingParams params_; public: explicit InterStrandBlock(const CouplingParams& p = {}) : params_(p) { build_matrix(); } // Build inter-strand coupling matrix void build_matrix() { for (auto& row : M_) row.fill(0.0); for (int i = 0; i < NUM_STRANDS; ++i) { // Adjacent strand coupling int next = (i + 1) % NUM_STRANDS; double coupling = params_.beta_0 * std::sin(M_PI * (i + 1) / BASE_PAIRS_PER_TURN); M_[i][next] = coupling; M_[next][i] = coupling; // Diagonal with gamma modulation M_[i][i] = params_.gamma * F_function(i + 1); } } // F function for 10.6 modulation static double F_function(int n) { return std::cos(2.0 * M_PI * n / BASE_PAIRS_PER_TURN) + 0.5 * std::cos(4.0 * M_PI * n / BASE_PAIRS_PER_TURN); } // Eigenvalues (Section 11.2): // λ_inter(n) = 2β₀·sin(πn/10.6)·cos(πn/8) + γ·F(n, 10.6) double eigenvalue(int n) const { double sin_term = std::sin(M_PI * n / BASE_PAIRS_PER_TURN); double cos_term = std::cos(M_PI * n / 8.0); return 2.0 * params_.beta_0 * sin_term * cos_term + params_.gamma * F_function(n); } std::array all_eigenvalues() const { std::array eigs; for (int n = 0; n < NUM_STRANDS; ++n) { eigs[n] = eigenvalue(n); } std::sort(eigs.begin(), eigs.end()); return eigs; } // Band: λ_inter ∈ [-γ, 1.2β₀ + 0.924γ] std::pair band_limits() const { return { -params_.gamma, 1.2 * params_.beta_0 + 0.924 * params_.gamma }; } const auto& matrix() const { return M_; } }; // ============================================================================ // 11.3 CROSS-HELIX BLOCK (12×12) // ============================================================================ class CrossHelixBlock { private: std::array, CROSS_HELIX_BONDS> M_; CouplingParams params_; public: explicit CrossHelixBlock(const CouplingParams& p = {}) : params_(p) { build_matrix(); } // Build cross-helix coupling matrix void build_matrix() { for (auto& row : M_) row.fill(0.0); for (int m = 0; m < CROSS_HELIX_BONDS; ++m) { // Diagonal: exponential decay with 10.6 modulation double decay = std::exp(-4.0 * (m + 1) * HELIX_RADIUS * std::sin(M_PI / 8.0) / params_.xi); double cos_term = std::cos(8.0 * M_PI * (m + 1) / BASE_PAIRS_PER_TURN); M_[m][m] = params_.gamma_0 * decay * cos_term; // Neighbor coupling with 10.6 phase for (int mp = 0; mp < CROSS_HELIX_BONDS; ++mp) { if (std::abs(mp - m) <= 3 && mp != m) { double phase = std::cos(2.0 * M_PI * (m - mp) / BASE_PAIRS_PER_TURN); M_[m][mp] = params_.eta * phase; } } } } // Eigenvalues (Section 11.3): // λ_cross(m) = γ₀·e^{-4m·r·sin(π/8)/ξ}·cos(8πm/10.6) + // η·Σ cos(2π(m-m')/10.6) double eigenvalue(int m) const { double decay = std::exp(-4.0 * m * HELIX_RADIUS * std::sin(M_PI / 8.0) / params_.xi); double cos_8 = std::cos(8.0 * M_PI * m / BASE_PAIRS_PER_TURN); double main_term = params_.gamma_0 * decay * cos_8; // Sum over neighbors |m' - m| ≤ 3 double neighbor_sum = 0.0; for (int mp = std::max(0, m - 3); mp <= std::min(CROSS_HELIX_BONDS - 1, m + 3); ++mp) { if (mp != m) { neighbor_sum += std::cos(2.0 * M_PI * (m - mp) / BASE_PAIRS_PER_TURN); } } return main_term + params_.eta * neighbor_sum; } std::array all_eigenvalues() const { std::array eigs; for (int m = 0; m < CROSS_HELIX_BONDS; ++m) { eigs[m] = eigenvalue(m); } std::sort(eigs.begin(), eigs.end()); return eigs; } // Band: λ_cross ∈ [-1.0γ₀ - 0.618η, 1.0γ₀ + 2.618η] std::pair band_limits() const { return { -1.0 * params_.gamma_0 - 0.618 * params_.eta, 1.0 * params_.gamma_0 + 2.618 * params_.eta }; } const auto& matrix() const { return M_; } }; // ============================================================================ // 11.4 FULL 44×44 SPECTRUM // ============================================================================ class Full44x44Matrix { private: std::array, TOTAL_BONDS> M_; CouplingParams params_; IntraStrandBlock intra_; InterStrandBlock inter_; CrossHelixBlock cross_; // Coupling between blocks std::array, NUM_STRANDS> C_intra_inter_; std::array, NUM_STRANDS> C_intra_cross_; std::array, NUM_STRANDS> C_inter_cross_; public: explicit Full44x44Matrix(const CouplingParams& p = {}) : params_(p), intra_(p), inter_(p), cross_(p) { build_coupling_matrices(); build_full_matrix(); } // Build inter-block coupling matrices void build_coupling_matrices() { // C_intra_inter: coupling between intra and inter blocks for (auto& row : C_intra_inter_) row.fill(0.0); for (int i = 0; i < NUM_STRANDS; ++i) { // Direct coupling C_intra_inter_[i][i] = 0.5 * params_.beta_0; // Phase-shifted coupling int j = (i + 4) % NUM_STRANDS; C_intra_inter_[i][j] = 0.2 * params_.beta_0 * std::cos(2.0 * M_PI * i / BASE_PAIRS_PER_TURN); } // C_intra_cross: coupling between intra and cross blocks for (auto& row : C_intra_cross_) row.fill(0.0); // Map intra bonds to cross bonds (every 4th) for (int i = 0; i < NUM_STRANDS && i/4 < CROSS_HELIX_BONDS; ++i) { C_intra_cross_[i][i/4] = 0.3 * params_.gamma; } // C_inter_cross: coupling between inter and cross blocks for (auto& row : C_inter_cross_) row.fill(0.0); for (int i = 0; i < NUM_STRANDS && i < CROSS_HELIX_BONDS; ++i) { C_inter_cross_[i][i] = 0.2 * params_.gamma; } } // Build full 44×44 matrix (Section 11.4 block structure) void build_full_matrix() { // Initialize to zero for (auto& row : M_) row.fill(0.0); // Block 1: M_intra (indices 0-15) const auto& M_intra = intra_.matrix(); for (int i = 0; i < NUM_STRANDS; ++i) { for (int j = 0; j < NUM_STRANDS; ++j) { M_[i][j] = M_intra[i][j]; } } // Block 2: M_inter (indices 16-31) const auto& M_inter = inter_.matrix(); for (int i = 0; i < NUM_STRANDS; ++i) { for (int j = 0; j < NUM_STRANDS; ++j) { M_[i + NUM_STRANDS][j + NUM_STRANDS] = M_inter[i][j]; } } // Block 3: M_cross (indices 32-43) const auto& M_cross = cross_.matrix(); for (int i = 0; i < CROSS_HELIX_BONDS; ++i) { for (int j = 0; j < CROSS_HELIX_BONDS; ++j) { M_[i + NUM_STRANDS * 2][j + NUM_STRANDS * 2] = M_cross[i][j]; } } // Coupling block C_intra_inter (and transpose) for (int i = 0; i < NUM_STRANDS; ++i) { for (int j = 0; j < NUM_STRANDS; ++j) { M_[i][j + NUM_STRANDS] = C_intra_inter_[i][j]; M_[j + NUM_STRANDS][i] = C_intra_inter_[i][j]; // Symmetric } } // Coupling block C_intra_cross for (int i = 0; i < NUM_STRANDS; ++i) { for (int j = 0; j < CROSS_HELIX_BONDS; ++j) { M_[i][j + NUM_STRANDS * 2] = C_intra_cross_[i][j]; M_[j + NUM_STRANDS * 2][i] = C_intra_cross_[i][j]; } } // Coupling block C_inter_cross for (int i = 0; i < NUM_STRANDS; ++i) { for (int j = 0; j < CROSS_HELIX_BONDS; ++j) { M_[i + NUM_STRANDS][j + NUM_STRANDS * 2] = C_inter_cross_[i][j]; M_[j + NUM_STRANDS * 2][i + NUM_STRANDS] = C_inter_cross_[i][j]; } } } // Power iteration for largest eigenvalue double largest_eigenvalue(int max_iter = 1000, double tol = 1e-10) const { std::array v; for (int i = 0; i < TOTAL_BONDS; ++i) { v[i] = 1.0 / std::sqrt(TOTAL_BONDS); } double lambda = 0.0; for (int iter = 0; iter < max_iter; ++iter) { // Matrix-vector product std::array w; w.fill(0.0); for (int i = 0; i < TOTAL_BONDS; ++i) { for (int j = 0; j < TOTAL_BONDS; ++j) { w[i] += M_[i][j] * v[j]; } } // Rayleigh quotient double new_lambda = 0.0; for (int i = 0; i < TOTAL_BONDS; ++i) { new_lambda += v[i] * w[i]; } // Normalize double norm = 0.0; for (int i = 0; i < TOTAL_BONDS; ++i) { norm += w[i] * w[i]; } norm = std::sqrt(norm); for (int i = 0; i < TOTAL_BONDS; ++i) { v[i] = w[i] / norm; } if (std::abs(new_lambda - lambda) < tol) { return new_lambda; } lambda = new_lambda; } return lambda; } // Inverse power iteration for smallest eigenvalue double smallest_eigenvalue(int max_iter = 1000, double tol = 1e-10) const { // Shift matrix by large value and use power iteration // For simplicity, use analytical estimate auto intra_band = intra_.band_limits(); auto inter_band = inter_.band_limits(); auto cross_band = cross_.band_limits(); return std::min({intra_band.first, inter_band.first, cross_band.first}) - params_.gamma; // Additional coupling shift } // Spectral summary (Section 11.4) struct SpectralSummary { double lambda_1; // Lowest (antibonding) double lambda_22; // Zero mode (Goldstone) double lambda_44; // Highest (bonding) double spectral_width; }; SpectralSummary spectral_summary() const { SpectralSummary s; // λ₁ = -4α - κ - γ - γ₀ (lowest, antibonding) s.lambda_1 = -4.0 * params_.alpha - params_.kappa_intra - params_.gamma - params_.gamma_0; // λ₂₂ = 0 (zero mode, Goldstone) s.lambda_22 = 0.0; // λ₄₄ = κ + 1.2β₀ + γ + 2.618η (highest, bonding) s.lambda_44 = params_.kappa_intra + 1.2 * params_.beta_0 + params_.gamma + 2.618 * params_.eta; // W = λ₄₄ - λ₁ = 4α + 2κ + 1.2β₀ + 2γ + γ₀ + 3.236η s.spectral_width = s.lambda_44 - s.lambda_1; return s; } // Approximate spectrum using block eigenvalues std::vector approximate_spectrum() const { std::vector spectrum; spectrum.reserve(TOTAL_BONDS); // Add block eigenvalues auto intra_eigs = intra_.all_eigenvalues(); auto inter_eigs = inter_.all_eigenvalues(); auto cross_eigs = cross_.all_eigenvalues(); for (auto e : intra_eigs) spectrum.push_back(e); for (auto e : inter_eigs) spectrum.push_back(e); for (auto e : cross_eigs) spectrum.push_back(e); std::sort(spectrum.begin(), spectrum.end()); return spectrum; } // Density of states (histogram) std::vector density_of_states(int num_bins = 20) const { auto spectrum = approximate_spectrum(); double min_e = spectrum.front(); double max_e = spectrum.back(); double bin_width = (max_e - min_e) / num_bins; std::vector dos(num_bins, 0); for (double e : spectrum) { int bin = std::min(static_cast((e - min_e) / bin_width), num_bins - 1); dos[bin]++; } return dos; } // Trace (sum of eigenvalues = sum of diagonal) double trace() const { double tr = 0.0; for (int i = 0; i < TOTAL_BONDS; ++i) { tr += M_[i][i]; } return tr; } const auto& matrix() const { return M_; } const IntraStrandBlock& intra_block() const { return intra_; } const InterStrandBlock& inter_block() const { return inter_; } const CrossHelixBlock& cross_block() const { return cross_; } }; // ============================================================================ // EIGENVALUE ANALYSIS UTILITIES // ============================================================================ class EigenvalueAnalysis { public: // Compute localization (inverse participation ratio) static double localization(const std::array& eigenvector) { double ipr = 0.0; for (double v : eigenvector) { ipr += v * v * v * v; } return ipr; // IPR = 1 for fully localized, 1/N for delocalized } // Compute band gap static double band_gap(const std::vector& spectrum) { if (spectrum.size() < 2) return 0.0; double max_gap = 0.0; for (size_t i = 1; i < spectrum.size(); ++i) { double gap = spectrum[i] - spectrum[i-1]; max_gap = std::max(max_gap, gap); } return max_gap; } // Find zero modes (eigenvalues near zero) static std::vector find_zero_modes(const std::vector& spectrum, double tolerance = 1e-6) { std::vector zero_modes; for (size_t i = 0; i < spectrum.size(); ++i) { if (std::abs(spectrum[i]) < tolerance) { zero_modes.push_back(i); } } return zero_modes; } // Spectral entropy static double spectral_entropy(const std::vector& spectrum) { // Normalize to probability distribution double sum = 0.0; for (double e : spectrum) { sum += std::abs(e); } if (sum < 1e-10) return 0.0; double entropy = 0.0; for (double e : spectrum) { double p = std::abs(e) / sum; if (p > 1e-10) { entropy -= p * std::log(p); } } return entropy; } // 10.6 phase coherence in spectrum static double phase_coherence_10_6(const std::vector& spectrum) { // Measure how well eigenvalues align with 10.6 periodicity double coherence = 0.0; for (size_t i = 0; i < spectrum.size(); ++i) { double phase = std::fmod(spectrum[i], 2.0 * M_PI / BASE_PAIRS_PER_TURN); coherence += std::cos(phase * BASE_PAIRS_PER_TURN); } return coherence / spectrum.size(); } }; // ============================================================================ // COMPLETE G¹⁶ EIGENVALUE SYSTEM // ============================================================================ class G16EigenSystem { private: Full44x44Matrix matrix_; CouplingParams params_; public: explicit G16EigenSystem(const CouplingParams& p = {}) : matrix_(p), params_(p) {} // Get full spectral analysis struct Analysis { Full44x44Matrix::SpectralSummary summary; std::vector spectrum; std::vector density_of_states; double band_gap; std::vector zero_modes; double spectral_entropy; double phase_coherence; double trace; }; Analysis analyze() const { Analysis a; a.summary = matrix_.spectral_summary(); a.spectrum = matrix_.approximate_spectrum(); a.density_of_states = matrix_.density_of_states(); a.band_gap = EigenvalueAnalysis::band_gap(a.spectrum); a.zero_modes = EigenvalueAnalysis::find_zero_modes(a.spectrum); a.spectral_entropy = EigenvalueAnalysis::spectral_entropy(a.spectrum); a.phase_coherence = EigenvalueAnalysis::phase_coherence_10_6(a.spectrum); a.trace = matrix_.trace(); return a; } // Update coupling parameters and rebuild void update_params(const CouplingParams& p) { params_ = p; matrix_ = Full44x44Matrix(p); } const Full44x44Matrix& matrix() const { return matrix_; } const CouplingParams& params() const { return params_; } }; } // namespace agi::dna