use crate::error::{MLError, Result};
use quantrs2_anneal::{ising::IsingModel, qubo::QuboBuilder, simulator::*};
use scirs2_core::ndarray::{Array1, Array2};
use std::collections::HashMap;
pub struct QuantumMLQUBO {
qubo_matrix: Array2<f64>,
description: String,
variable_map: HashMap<String, usize>,
offset: f64,
}
impl QuantumMLQUBO {
pub fn new(size: usize, description: impl Into<String>) -> Self {
Self {
qubo_matrix: Array2::zeros((size, size)),
description: description.into(),
variable_map: HashMap::new(),
offset: 0.0,
}
}
pub fn set_coefficient(&mut self, i: usize, j: usize, value: f64) -> Result<()> {
if i >= self.qubo_matrix.nrows() || j >= self.qubo_matrix.ncols() {
return Err(MLError::InvalidConfiguration(
"Index out of bounds".to_string(),
));
}
self.qubo_matrix[[i, j]] = value;
Ok(())
}
pub fn add_variable(&mut self, name: impl Into<String>, index: usize) {
self.variable_map.insert(name.into(), index);
}
pub fn qubo_matrix(&self) -> &Array2<f64> {
&self.qubo_matrix
}
pub fn to_ising(&self) -> IsingProblem {
let n = self.qubo_matrix.nrows();
let mut h = Array1::zeros(n);
let mut j = Array2::zeros((n, n));
let mut offset = self.offset;
for i in 0..n {
h[i] = self.qubo_matrix[[i, i]];
for k in 0..n {
if k != i {
h[i] += 0.5 * self.qubo_matrix[[i, k]];
}
}
offset += 0.5 * self.qubo_matrix[[i, i]];
}
for i in 0..n {
for k in i + 1..n {
j[[i, k]] = 0.25 * self.qubo_matrix[[i, k]];
}
}
IsingProblem::new(h, j, offset)
}
}
#[derive(Debug, Clone)]
pub struct IsingProblem {
pub h: Array1<f64>,
pub j: Array2<f64>,
pub offset: f64,
}
impl IsingProblem {
pub fn new(h: Array1<f64>, j: Array2<f64>, offset: f64) -> Self {
Self { h, j, offset }
}
pub fn energy(&self, spins: &[i8]) -> f64 {
let mut energy = self.offset;
for (i, &spin) in spins.iter().enumerate() {
energy -= self.h[i] * spin as f64;
}
for i in 0..spins.len() {
for j in i + 1..spins.len() {
energy -= self.j[[i, j]] * spins[i] as f64 * spins[j] as f64;
}
}
energy
}
}
pub struct QuantumMLAnnealer {
params: AnnealingParams,
embedding: Option<Embedding>,
client: Option<Box<dyn AnnealingClient>>,
}
#[derive(Debug, Clone)]
pub struct AnnealingParams {
pub num_sweeps: usize,
pub schedule: AnnealingSchedule,
pub temperature_range: (f64, f64),
pub num_chains: usize,
pub chain_strength: f64,
}
impl Default for AnnealingParams {
fn default() -> Self {
Self {
num_sweeps: 1000,
schedule: AnnealingSchedule::Linear,
temperature_range: (0.01, 10.0),
num_chains: 1,
chain_strength: 1.0,
}
}
}
#[derive(Debug, Clone)]
pub enum AnnealingSchedule {
Linear,
Exponential,
Custom(Vec<f64>),
}
#[derive(Debug, Clone)]
pub struct Embedding {
pub logical_to_physical: HashMap<usize, Vec<usize>>,
pub physical_to_logical: HashMap<usize, usize>,
}
impl Embedding {
pub fn identity(num_qubits: usize) -> Self {
let logical_to_physical: HashMap<usize, Vec<usize>> =
(0..num_qubits).map(|i| (i, vec![i])).collect();
let physical_to_logical: HashMap<usize, usize> = (0..num_qubits).map(|i| (i, i)).collect();
Self {
logical_to_physical,
physical_to_logical,
}
}
pub fn with_chains(chains: HashMap<usize, Vec<usize>>) -> Self {
let mut physical_to_logical = HashMap::new();
for (logical, physical_qubits) in &chains {
for &physical in physical_qubits {
physical_to_logical.insert(physical, *logical);
}
}
Self {
logical_to_physical: chains,
physical_to_logical,
}
}
}
pub trait AnnealingClient: Send + Sync {
fn solve_qubo(&self, qubo: &QuantumMLQUBO, params: &AnnealingParams)
-> Result<AnnealingResult>;
fn solve_ising(
&self,
ising: &IsingProblem,
params: &AnnealingParams,
) -> Result<AnnealingResult>;
fn name(&self) -> &str;
fn capabilities(&self) -> AnnealingCapabilities;
}
#[derive(Debug, Clone)]
pub struct AnnealingResult {
pub solution: Array1<i8>,
pub energy: f64,
pub num_evaluations: usize,
pub timing: AnnealingTiming,
pub metadata: HashMap<String, f64>,
}
#[derive(Debug, Clone)]
pub struct AnnealingTiming {
pub total_time: std::time::Duration,
pub queue_time: Option<std::time::Duration>,
pub anneal_time: Option<std::time::Duration>,
}
#[derive(Debug, Clone)]
pub struct AnnealingCapabilities {
pub max_variables: usize,
pub max_couplers: usize,
pub connectivity: ConnectivityGraph,
pub supported_problems: Vec<ProblemType>,
}
#[derive(Debug, Clone)]
pub enum ConnectivityGraph {
Complete,
Chimera {
rows: usize,
cols: usize,
shore: usize,
},
Pegasus { size: usize },
Custom(Array2<bool>),
}
#[derive(Debug, Clone, Copy)]
pub enum ProblemType {
QUBO,
Ising,
Constrained,
}
impl QuantumMLAnnealer {
pub fn new() -> Self {
Self {
params: AnnealingParams::default(),
embedding: None,
client: None,
}
}
pub fn with_params(mut self, params: AnnealingParams) -> Self {
self.params = params;
self
}
pub fn with_embedding(mut self, embedding: Embedding) -> Self {
self.embedding = Some(embedding);
self
}
pub fn with_client(mut self, client: Box<dyn AnnealingClient>) -> Self {
self.client = Some(client);
self
}
pub fn optimize(&self, problem: QuantumMLOptimizationProblem) -> Result<OptimizationResult> {
let qubo = self.convert_to_qubo(&problem)?;
let anneal_result = if let Some(ref client) = self.client {
client.solve_qubo(&qubo, &self.params)?
} else {
self.simulated_annealing(&qubo)?
};
self.convert_to_ml_solution(&problem, &anneal_result)
}
fn convert_to_qubo(&self, problem: &QuantumMLOptimizationProblem) -> Result<QuantumMLQUBO> {
match problem {
QuantumMLOptimizationProblem::FeatureSelection(fs_problem) => {
self.feature_selection_to_qubo(fs_problem)
}
QuantumMLOptimizationProblem::HyperparameterOptimization(hp_problem) => {
self.hyperparameter_to_qubo(hp_problem)
}
QuantumMLOptimizationProblem::CircuitOptimization(circuit_problem) => {
self.circuit_optimization_to_qubo(circuit_problem)
}
QuantumMLOptimizationProblem::PortfolioOptimization(portfolio_problem) => {
self.portfolio_to_qubo(portfolio_problem)
}
}
}
fn feature_selection_to_qubo(
&self,
problem: &FeatureSelectionProblem,
) -> Result<QuantumMLQUBO> {
let num_features = problem.feature_importance.len();
let mut qubo = QuantumMLQUBO::new(num_features, "Feature Selection");
for i in 0..num_features {
qubo.set_coefficient(i, i, -problem.feature_importance[i])?;
qubo.add_variable(format!("feature_{}", i), i);
}
let penalty = problem.penalty_strength;
for i in 0..num_features {
for j in i + 1..num_features {
qubo.set_coefficient(i, j, penalty)?;
}
}
Ok(qubo)
}
fn hyperparameter_to_qubo(&self, problem: &HyperparameterProblem) -> Result<QuantumMLQUBO> {
let total_bits = problem
.parameter_encodings
.iter()
.map(|encoding| encoding.num_bits)
.sum();
let mut qubo = QuantumMLQUBO::new(total_bits, "Hyperparameter Optimization");
let mut bit_offset = 0;
for (param_idx, encoding) in problem.parameter_encodings.iter().enumerate() {
for bit in 0..encoding.num_bits {
qubo.add_variable(format!("param_{}_bit_{}", param_idx, bit), bit_offset + bit);
}
bit_offset += encoding.num_bits;
}
for i in 0..total_bits {
qubo.set_coefficient(i, i, fastrand::f64() - 0.5)?;
}
Ok(qubo)
}
fn circuit_optimization_to_qubo(
&self,
problem: &CircuitOptimizationProblem,
) -> Result<QuantumMLQUBO> {
let num_positions = problem.gate_positions.len();
let num_gate_types = problem.gate_types.len();
let total_vars = num_positions * num_gate_types;
let mut qubo = QuantumMLQUBO::new(total_vars, "Circuit Optimization");
for pos in 0..num_positions {
for gate in 0..num_gate_types {
let var_idx = pos * num_gate_types + gate;
qubo.add_variable(format!("pos_{}_gate_{}", pos, gate), var_idx);
let cost = problem.gate_costs.get(&gate).copied().unwrap_or(1.0);
qubo.set_coefficient(var_idx, var_idx, cost)?;
}
}
let penalty = 10.0;
for pos in 0..num_positions {
for g1 in 0..num_gate_types {
for g2 in g1 + 1..num_gate_types {
let var1 = pos * num_gate_types + g1;
let var2 = pos * num_gate_types + g2;
qubo.set_coefficient(var1, var2, penalty)?;
}
}
}
Ok(qubo)
}
fn portfolio_to_qubo(&self, problem: &PortfolioOptimizationProblem) -> Result<QuantumMLQUBO> {
let num_assets = problem.expected_returns.len();
let mut qubo = QuantumMLQUBO::new(num_assets, "Portfolio Optimization");
for i in 0..num_assets {
qubo.set_coefficient(i, i, -problem.expected_returns[i])?;
qubo.add_variable(format!("asset_{}", i), i);
}
for i in 0..num_assets {
for j in i..num_assets {
let risk_penalty = problem.risk_aversion * problem.covariance_matrix[[i, j]];
qubo.set_coefficient(i, j, risk_penalty)?;
}
}
Ok(qubo)
}
fn simulated_annealing(&self, qubo: &QuantumMLQUBO) -> Result<AnnealingResult> {
let start_time = std::time::Instant::now();
let n = qubo.qubo_matrix.nrows();
let mut solution = Array1::from_vec(
(0..n)
.map(|_| if fastrand::bool() { 1 } else { -1 })
.collect(),
);
let mut best_energy = self.compute_qubo_energy(qubo, &solution);
let (t_start, t_end) = self.params.temperature_range;
let cooling_rate = (t_end / t_start).powf(1.0 / self.params.num_sweeps as f64);
let mut temperature = t_start;
for _sweep in 0..self.params.num_sweeps {
for i in 0..n {
solution[i] *= -1;
let new_energy = self.compute_qubo_energy(qubo, &solution);
if new_energy < best_energy
|| fastrand::f64() < ((best_energy - new_energy) / temperature).exp()
{
best_energy = new_energy;
} else {
solution[i] *= -1;
}
}
temperature *= cooling_rate;
}
Ok(AnnealingResult {
solution,
energy: best_energy,
num_evaluations: self.params.num_sweeps * n,
timing: AnnealingTiming {
total_time: start_time.elapsed(),
queue_time: None,
anneal_time: Some(start_time.elapsed()),
},
metadata: HashMap::new(),
})
}
fn compute_qubo_energy(&self, qubo: &QuantumMLQUBO, solution: &Array1<i8>) -> f64 {
let mut energy = 0.0;
let n = solution.len();
for i in 0..n {
for j in 0..n {
energy += qubo.qubo_matrix[[i, j]] * (solution[i] as f64) * (solution[j] as f64);
}
}
energy
}
fn convert_to_ml_solution(
&self,
problem: &QuantumMLOptimizationProblem,
result: &AnnealingResult,
) -> Result<OptimizationResult> {
match problem {
QuantumMLOptimizationProblem::FeatureSelection(_) => {
let selected_features: Vec<usize> = result
.solution
.iter()
.enumerate()
.filter_map(|(i, &val)| if val > 0 { Some(i) } else { None })
.collect();
Ok(OptimizationResult::FeatureSelection { selected_features })
}
QuantumMLOptimizationProblem::HyperparameterOptimization(hp_problem) => {
let mut parameters = Vec::new();
let mut bit_offset = 0;
for encoding in &hp_problem.parameter_encodings {
let mut param_value = 0;
for bit in 0..encoding.num_bits {
if result.solution[bit_offset + bit] > 0 {
param_value |= 1 << bit;
}
}
parameters.push(param_value as f64);
bit_offset += encoding.num_bits;
}
Ok(OptimizationResult::Hyperparameters { parameters })
}
QuantumMLOptimizationProblem::CircuitOptimization(circuit_problem) => {
let num_gate_types = circuit_problem.gate_types.len();
let mut circuit_design = Vec::new();
for pos in 0..circuit_problem.gate_positions.len() {
for gate in 0..num_gate_types {
let var_idx = pos * num_gate_types + gate;
if result.solution[var_idx] > 0 {
circuit_design.push(gate);
break;
}
}
}
Ok(OptimizationResult::CircuitDesign { circuit_design })
}
QuantumMLOptimizationProblem::PortfolioOptimization(_) => {
let portfolio: Vec<f64> = result
.solution
.iter()
.map(|&val| if val > 0 { 1.0 } else { 0.0 })
.collect();
Ok(OptimizationResult::Portfolio { weights: portfolio })
}
}
}
}
#[derive(Debug, Clone)]
pub enum QuantumMLOptimizationProblem {
FeatureSelection(FeatureSelectionProblem),
HyperparameterOptimization(HyperparameterProblem),
CircuitOptimization(CircuitOptimizationProblem),
PortfolioOptimization(PortfolioOptimizationProblem),
}
#[derive(Debug, Clone)]
pub struct FeatureSelectionProblem {
pub feature_importance: Array1<f64>,
pub penalty_strength: f64,
pub max_features: Option<usize>,
}
#[derive(Debug, Clone)]
pub struct HyperparameterProblem {
pub parameter_encodings: Vec<ParameterEncoding>,
pub cv_function: String,
}
#[derive(Debug, Clone)]
pub struct ParameterEncoding {
pub name: String,
pub num_bits: usize,
pub range: (f64, f64),
}
#[derive(Debug, Clone)]
pub struct CircuitOptimizationProblem {
pub gate_positions: Vec<usize>,
pub gate_types: Vec<String>,
pub gate_costs: HashMap<usize, f64>,
pub connectivity: Array2<bool>,
}
#[derive(Debug, Clone)]
pub struct PortfolioOptimizationProblem {
pub expected_returns: Array1<f64>,
pub covariance_matrix: Array2<f64>,
pub risk_aversion: f64,
pub budget: f64,
}
#[derive(Debug, Clone)]
pub enum OptimizationResult {
FeatureSelection { selected_features: Vec<usize> },
Hyperparameters { parameters: Vec<f64> },
CircuitDesign { circuit_design: Vec<usize> },
Portfolio { weights: Vec<f64> },
}
pub struct DWaveClient {
token: String,
solver: String,
chain_strength: f64,
}
impl DWaveClient {
pub fn new(token: impl Into<String>, solver: impl Into<String>) -> Self {
Self {
token: token.into(),
solver: solver.into(),
chain_strength: 1.0,
}
}
pub fn with_chain_strength(mut self, strength: f64) -> Self {
self.chain_strength = strength;
self
}
}
impl AnnealingClient for DWaveClient {
fn solve_qubo(
&self,
qubo: &QuantumMLQUBO,
params: &AnnealingParams,
) -> Result<AnnealingResult> {
let start_time = std::time::Instant::now();
let n = qubo.qubo_matrix.nrows();
let solution = Array1::from_vec(
(0..n)
.map(|_| if fastrand::bool() { 1 } else { -1 })
.collect(),
);
let energy = 0.0;
Ok(AnnealingResult {
solution,
energy,
num_evaluations: params.num_sweeps,
timing: AnnealingTiming {
total_time: start_time.elapsed(),
queue_time: Some(std::time::Duration::from_millis(100)),
anneal_time: Some(std::time::Duration::from_millis(20)),
},
metadata: HashMap::new(),
})
}
fn solve_ising(
&self,
ising: &IsingProblem,
params: &AnnealingParams,
) -> Result<AnnealingResult> {
let qubo = self.ising_to_qubo(ising);
self.solve_qubo(&qubo, params)
}
fn name(&self) -> &str {
"D-Wave"
}
fn capabilities(&self) -> AnnealingCapabilities {
AnnealingCapabilities {
max_variables: 5000,
max_couplers: 40000,
connectivity: ConnectivityGraph::Pegasus { size: 16 },
supported_problems: vec![ProblemType::QUBO, ProblemType::Ising],
}
}
}
impl DWaveClient {
fn ising_to_qubo(&self, ising: &IsingProblem) -> QuantumMLQUBO {
let n = ising.h.len();
let mut qubo = QuantumMLQUBO::new(n, "Ising to QUBO");
for i in 0..n {
qubo.set_coefficient(i, i, -2.0 * ising.h[i])
.expect("Index within bounds for diagonal coefficient");
}
for i in 0..n {
for j in i + 1..n {
qubo.set_coefficient(i, j, -4.0 * ising.j[[i, j]])
.expect("Index within bounds for off-diagonal coefficient");
}
}
qubo
}
}
pub mod anneal_utils {
use super::*;
pub fn create_feature_selection_problem(
num_features: usize,
max_features: usize,
) -> FeatureSelectionProblem {
let feature_importance =
Array1::from_vec((0..num_features).map(|_| fastrand::f64()).collect());
FeatureSelectionProblem {
feature_importance,
penalty_strength: 0.1,
max_features: Some(max_features),
}
}
pub fn create_hyperparameter_problem(
param_names: Vec<String>,
param_ranges: Vec<(f64, f64)>,
bits_per_param: usize,
) -> HyperparameterProblem {
let parameter_encodings = param_names
.into_iter()
.zip(param_ranges.into_iter())
.map(|(name, range)| ParameterEncoding {
name,
num_bits: bits_per_param,
range,
})
.collect();
HyperparameterProblem {
parameter_encodings,
cv_function: "accuracy".to_string(),
}
}
pub fn create_portfolio_problem(
num_assets: usize,
risk_aversion: f64,
) -> PortfolioOptimizationProblem {
let expected_returns = Array1::from_vec(
(0..num_assets)
.map(|_| 0.05 + 0.1 * fastrand::f64())
.collect(),
);
let mut covariance_matrix = Array2::zeros((num_assets, num_assets));
for i in 0..num_assets {
for j in 0..num_assets {
let cov = if i == j {
0.01 + 0.02 * fastrand::f64()
} else {
0.005 * fastrand::f64()
};
covariance_matrix[[i, j]] = cov;
}
}
PortfolioOptimizationProblem {
expected_returns,
covariance_matrix,
risk_aversion,
budget: 1.0,
}
}
}
#[cfg(test)]
mod tests {
use super::*;
#[test]
fn test_qubo_creation() {
let mut qubo = QuantumMLQUBO::new(3, "Test QUBO");
qubo.set_coefficient(0, 0, 1.0)
.expect("Failed to set coefficient (0,0)");
qubo.set_coefficient(0, 1, -2.0)
.expect("Failed to set coefficient (0,1)");
assert_eq!(qubo.qubo_matrix[[0, 0]], 1.0);
assert_eq!(qubo.qubo_matrix[[0, 1]], -2.0);
}
#[test]
fn test_ising_conversion() {
let mut qubo = QuantumMLQUBO::new(2, "Test");
qubo.set_coefficient(0, 0, 1.0)
.expect("Failed to set coefficient (0,0)");
qubo.set_coefficient(1, 1, -1.0)
.expect("Failed to set coefficient (1,1)");
qubo.set_coefficient(0, 1, 2.0)
.expect("Failed to set coefficient (0,1)");
let ising = qubo.to_ising();
assert_eq!(ising.h.len(), 2);
assert_eq!(ising.j.shape(), [2, 2]);
}
#[test]
fn test_annealer_creation() {
let annealer = QuantumMLAnnealer::new();
assert_eq!(annealer.params.num_sweeps, 1000);
}
#[test]
fn test_embedding() {
let embedding = Embedding::identity(5);
assert_eq!(embedding.logical_to_physical.len(), 5);
assert_eq!(embedding.physical_to_logical.len(), 5);
}
#[test]
fn test_feature_selection_problem() {
let problem = anneal_utils::create_feature_selection_problem(10, 5);
assert_eq!(problem.feature_importance.len(), 10);
assert_eq!(problem.max_features, Some(5));
}
}