/** * Quantum Annealing Simulation * * Simulates quantum annealing process for combinatorial optimization. * Uses quantum tunneling and thermal fluctuations to escape local minima. * * Applications: Scheduling, Constraint Satisfaction, TSP, Protein Folding */ import { create, all } from 'mathjs'; import type { MathJsStatic } from 'mathjs'; const math = create(all) as MathJsStatic; export interface AnnealingConfig { numQubits: number; initialTemperature: number; finalTemperature: number; annealingTime: number; // Total annealing time numSteps: number; // Number of discrete time steps quantumStrength: number; // Transverse field strength method: 'simulated' | 'quantum-monte-carlo' | 'path-integral'; } export interface QuboMatrix { Q: number[][]; // Quadratic Unconstrained Binary Optimization matrix } export interface AnnealingResult { solution: number[]; energy: number; successProbability: number; annealingPath: AnnealingSnapshot[]; executionTime: number; converged: boolean; } export interface AnnealingSnapshot { time: number; temperature: number; transverseField: number; state: number[]; energy: number; quantumFluctuations: number; } /** * Quantum Annealing Simulator */ export class QuantumAnnealer { private config: AnnealingConfig; private qubo: QuboMatrix; private currentState: number[]; private annealingPath: AnnealingSnapshot[] = []; constructor(config: AnnealingConfig, qubo: QuboMatrix) { this.config = config; this.qubo = qubo; this.currentState = this.initializeState(); } /** * Run quantum annealing optimization */ async anneal(): Promise { const startTime = Date.now(); // Reset state this.currentState = this.initializeState(); this.annealingPath = []; let bestSolution = [...this.currentState]; let bestEnergy = this.computeEnergy(this.currentState); const timeStep = this.config.annealingTime / this.config.numSteps; for (let step = 0; step < this.config.numSteps; step++) { const t = step / this.config.numSteps; // Normalized time [0, 1] // Annealing schedule const temperature = this.temperatureSchedule(t); const transverseField = this.transverseFieldSchedule(t); // Perform quantum annealing step based on method switch (this.config.method) { case 'quantum-monte-carlo': this.quantumMonteCarloStep(temperature, transverseField); break; case 'path-integral': this.pathIntegralStep(temperature, transverseField); break; default: this.simulatedAnnealingStep(temperature, transverseField); } const currentEnergy = this.computeEnergy(this.currentState); // Track best solution found if (currentEnergy < bestEnergy) { bestEnergy = currentEnergy; bestSolution = [...this.currentState]; } // Record snapshot this.annealingPath.push({ time: step * timeStep, temperature, transverseField, state: [...this.currentState], energy: currentEnergy, quantumFluctuations: this.computeQuantumFluctuations(transverseField) }); } const executionTime = Date.now() - startTime; const converged = this.checkConvergence(); const successProbability = this.estimateSuccessProbability(bestEnergy); return { solution: bestSolution, energy: bestEnergy, successProbability, annealingPath: this.annealingPath, executionTime, converged }; } /** * Initialize state (random or ground state) */ private initializeState(): number[] { // Start in uniform superposition (simulated as random state) return Array(this.config.numQubits) .fill(0) .map(() => Math.random() > 0.5 ? 1 : 0); } /** * Temperature schedule: T(t) = T_initial * (1 - t) + T_final * t */ private temperatureSchedule(t: number): number { return this.config.initialTemperature * (1 - t) + this.config.finalTemperature * t; } /** * Transverse field schedule: Γ(t) = Γ_0 * (1 - t) * Strong at start (quantum tunneling), weak at end (classical) */ private transverseFieldSchedule(t: number): number { return this.config.quantumStrength * (1 - t); } /** * Simulated annealing step with quantum tunneling */ private simulatedAnnealingStep(temperature: number, transverseField: number): void { const n = this.config.numQubits; // Try flipping each qubit for (let i = 0; i < n; i++) { const newState = [...this.currentState]; newState[i] = 1 - newState[i]; // Flip bit const currentEnergy = this.computeEnergy(this.currentState); const newEnergy = this.computeEnergy(newState); const deltaE = newEnergy - currentEnergy; // Acceptance probability with quantum tunneling term const classicalProb = Math.exp(-deltaE / temperature); const quantumProb = transverseField / (transverseField + Math.abs(deltaE)); const acceptProb = Math.max(classicalProb, quantumProb); if (deltaE < 0 || Math.random() < acceptProb) { this.currentState = newState; } } } /** * Quantum Monte Carlo step using path integral formulation */ private quantumMonteCarloStep(temperature: number, transverseField: number): void { const numTrotterSlices = 10; // Discretize imaginary time // Perform updates on each Trotter slice for (let slice = 0; slice < numTrotterSlices; slice++) { this.trotterSliceUpdate(temperature, transverseField, slice, numTrotterSlices); } } /** * Update single Trotter slice in QMC */ private trotterSliceUpdate( temperature: number, transverseField: number, slice: number, numSlices: number ): void { const n = this.config.numQubits; for (let i = 0; i < n; i++) { const newState = [...this.currentState]; newState[i] = 1 - newState[i]; const classicalEnergy = this.computeEnergy(newState) - this.computeEnergy(this.currentState); // Coupling to neighboring time slices (quantum tunneling) const kineticEnergy = -transverseField * Math.log(Math.tanh(1 / (temperature * numSlices))); const totalDeltaE = classicalEnergy + kineticEnergy; const acceptProb = Math.min(1, Math.exp(-totalDeltaE / temperature)); if (Math.random() < acceptProb) { this.currentState = newState; } } } /** * Path integral formulation step */ private pathIntegralStep(temperature: number, transverseField: number): void { // Simplified path integral using effective action const n = this.config.numQubits; for (let i = 0; i < n; i++) { const newState = [...this.currentState]; newState[i] = 1 - newState[i]; const classicalAction = this.computeEnergy(newState) - this.computeEnergy(this.currentState); const quantumAction = -transverseField * (2 * newState[i] - 1); const totalAction = classicalAction + quantumAction; const acceptProb = Math.min(1, Math.exp(-totalAction / temperature)); if (Math.random() < acceptProb) { this.currentState = newState; } } } /** * Compute energy E = x^T Q x for QUBO problem */ private computeEnergy(state: number[]): number { let energy = 0; const n = state.length; for (let i = 0; i < n; i++) { for (let j = 0; j < n; j++) { energy += state[i] * this.qubo.Q[i][j] * state[j]; } } return energy; } /** * Compute quantum fluctuations strength */ private computeQuantumFluctuations(transverseField: number): number { // Estimate quantum fluctuations as √⟨(ΔΓ)²⟩ return Math.sqrt(transverseField * this.config.numQubits); } /** * Check if annealing converged to ground state */ private checkConvergence(): boolean { if (this.annealingPath.length < 10) return false; // Check if energy stabilized in final 10% of steps const finalSteps = Math.floor(this.annealingPath.length * 0.1); const recentEnergies = this.annealingPath .slice(-finalSteps) .map(snapshot => snapshot.energy); const energyVariance = this.variance(recentEnergies); return energyVariance < 1e-6; } /** * Estimate success probability (reaching ground state) */ private estimateSuccessProbability(energy: number): number { // Use Boltzmann distribution at final temperature const temperature = this.config.finalTemperature; // Estimate ground state energy (lower bound) const minPossibleEnergy = -this.config.numQubits * 10; // Rough estimate // Probability proportional to exp(-E/T) const prob = Math.exp(-(energy - minPossibleEnergy) / Math.max(temperature, 0.01)); return Math.min(1, Math.max(0, prob)); } private variance(values: number[]): number { const mean = values.reduce((a, b) => a + b, 0) / values.length; const squaredDiffs = values.map(v => Math.pow(v - mean, 2)); return squaredDiffs.reduce((a, b) => a + b, 0) / values.length; } } /** * Create QUBO problem from various formulations */ export class QUBOFormulator { /** * Convert MaxCut to QUBO */ static maxCutToQUBO(edges: [number, number, number][]): QuboMatrix { const numNodes = Math.max(...edges.flatMap(([i, j]) => [i, j])) + 1; const Q = Array(numNodes).fill(0).map(() => Array(numNodes).fill(0)); edges.forEach(([i, j, weight]) => { // QUBO formulation: minimize -∑w_ij(1 - 2x_i)(1 - 2x_j) Q[i][i] -= weight; Q[j][j] -= weight; Q[i][j] += 2 * weight; Q[j][i] += 2 * weight; }); return { Q }; } /** * Convert TSP to QUBO */ static tspToQUBO(distanceMatrix: number[][]): QuboMatrix { const n = distanceMatrix.length; const numVars = n * n; // x_ij: city j visited at position i const Q = Array(numVars).fill(0).map(() => Array(numVars).fill(0)); const penalty = 1000; // Large penalty for constraint violations // Objective: minimize total distance for (let i = 0; i < n; i++) { for (let j = 0; j < n; j++) { for (let k = 0; k < n; k++) { if (k < n - 1) { const idx1 = i * n + j; const idx2 = (i + 1) * n + k; Q[idx1][idx2] += distanceMatrix[j][k]; } } } } // Constraint: each city visited exactly once for (let j = 0; j < n; j++) { for (let i = 0; i < n; i++) { const idx = i * n + j; Q[idx][idx] += penalty * (1 - 2 * n); for (let i2 = i + 1; i2 < n; i2++) { const idx2 = i2 * n + j; Q[idx][idx2] += 2 * penalty; } } } // Constraint: each position has exactly one city for (let i = 0; i < n; i++) { for (let j = 0; j < n; j++) { const idx = i * n + j; Q[idx][idx] += penalty * (1 - 2 * n); for (let j2 = j + 1; j2 < n; j2++) { const idx2 = i * n + j2; Q[idx][idx2] += 2 * penalty; } } } return { Q }; } /** * Convert constraint satisfaction to QUBO */ static constraintSatisfactionToQUBO( numVars: number, constraints: Array<{ vars: number[]; coeffs: number[]; rhs: number }> ): QuboMatrix { const Q = Array(numVars).fill(0).map(() => Array(numVars).fill(0)); // Each constraint: (∑c_i x_i - rhs)² = 0 constraints.forEach(({ vars, coeffs, rhs }) => { // Expand (∑c_i x_i - rhs)² for (let i = 0; i < vars.length; i++) { for (let j = 0; j < vars.length; j++) { Q[vars[i]][vars[j]] += coeffs[i] * coeffs[j]; } Q[vars[i]][vars[i]] -= 2 * coeffs[i] * rhs; } // Constant term (rhs²) doesn't affect optimization }); return { Q }; } /** * Convert portfolio optimization to QUBO */ static portfolioToQUBO( returns: number[], covarianceMatrix: number[][], budget: number, riskAversion: number ): QuboMatrix { const n = returns.length; const Q = Array(n).fill(0).map(() => Array(n).fill(0)); // Objective: maximize return - λ * risk // = maximize ∑r_i x_i - λ * ∑∑σ_ij x_i x_j // Convert to minimization: -∑r_i x_i + λ * ∑∑σ_ij x_i x_j for (let i = 0; i < n; i++) { Q[i][i] -= returns[i]; // Linear return term Q[i][i] += riskAversion * covarianceMatrix[i][i]; // Variance term for (let j = i + 1; j < n; j++) { Q[i][j] += riskAversion * covarianceMatrix[i][j]; // Covariance term Q[j][i] += riskAversion * covarianceMatrix[j][i]; } } // Budget constraint: ∑x_i = budget const penalty = 100; for (let i = 0; i < n; i++) { Q[i][i] += penalty * (1 - 2 * budget); for (let j = i + 1; j < n; j++) { Q[i][j] += 2 * penalty; Q[j][i] += 2 * penalty; } } return { Q }; } } /** * Solve QUBO problem using quantum annealing */ export async function solveQUBO( qubo: QuboMatrix, config: Partial = {} ): Promise { const numQubits = qubo.Q.length; const fullConfig: AnnealingConfig = { numQubits, initialTemperature: config.initialTemperature || 100, finalTemperature: config.finalTemperature || 0.01, annealingTime: config.annealingTime || 1000, numSteps: config.numSteps || 1000, quantumStrength: config.quantumStrength || 10, method: config.method || 'quantum-monte-carlo' }; const annealer = new QuantumAnnealer(fullConfig, qubo); return annealer.anneal(); } /** * Solve MaxCut using quantum annealing */ export async function solveMaxCutAnnealing( edges: [number, number, number][], config: Partial = {} ): Promise { const qubo = QUBOFormulator.maxCutToQUBO(edges); return solveQUBO(qubo, config); } /** * Solve TSP using quantum annealing */ export async function solveTSPAnnealing( distanceMatrix: number[][], config: Partial = {} ): Promise { const qubo = QUBOFormulator.tspToQUBO(distanceMatrix); return solveQUBO(qubo, config); }