#![allow(dead_code)]
use crate::sampler::Sampler;
use scirs2_core::ndarray::{Array1, Array2, ArrayView1, ArrayView2, Axis};
use scirs2_core::random::prelude::*;
use scirs2_core::random::prelude::*;
use std::collections::HashMap;
pub struct QuantumSVM {
kernel: KernelType,
c: f64,
kernel_params: KernelParams,
support_vectors: Option<Array2<f64>>,
alphas: Option<Array1<f64>>,
bias: Option<f64>,
sv_labels: Option<Array1<f64>>,
}
#[derive(Debug, Clone)]
pub enum KernelType {
Linear,
RBF { gamma: f64 },
Polynomial { degree: usize, coef0: f64 },
Quantum { feature_map: FeatureMap },
}
#[derive(Debug, Clone)]
pub struct KernelParams {
cache_size: usize,
tolerance: f64,
max_iter: usize,
}
#[derive(Debug, Clone)]
pub enum FeatureMap {
PauliZ { depth: usize },
PauliZZ { depth: usize, entanglement: String },
Custom { name: String },
}
impl QuantumSVM {
pub const fn new(kernel: KernelType, c: f64) -> Self {
Self {
kernel,
c,
kernel_params: KernelParams {
cache_size: 200,
tolerance: 1e-3,
max_iter: 1000,
},
support_vectors: None,
alphas: None,
bias: None,
sv_labels: None,
}
}
pub fn fit(
&mut self,
x: &Array2<f64>,
y: &Array1<f64>,
sampler: &dyn Sampler,
) -> Result<(), String> {
let n_samples = x.shape()[0];
let k_matrix = self.compute_kernel_matrix(x)?;
let (qubo, var_map) = self.create_svm_qubo(&k_matrix, y)?;
let results = sampler
.run_qubo(&(qubo, var_map.clone()), 100)
.map_err(|e| format!("Sampling error: {e:?}"))?;
if let Some(best) = results.first() {
let alphas = self.decode_alphas(&best.assignments, &var_map, n_samples);
let sv_indices: Vec<usize> = alphas
.iter()
.enumerate()
.filter(|(_, &alpha)| alpha > 1e-5)
.map(|(i, _)| i)
.collect();
if sv_indices.is_empty() {
return Err("No support vectors found".to_string());
}
let mut support_vectors = Array2::zeros((sv_indices.len(), x.shape()[1]));
let mut sv_alphas = Array1::zeros(sv_indices.len());
let mut sv_labels = Array1::zeros(sv_indices.len());
for (i, &idx) in sv_indices.iter().enumerate() {
support_vectors.row_mut(i).assign(&x.row(idx));
sv_alphas[i] = alphas[idx];
sv_labels[i] = y[idx];
}
self.support_vectors = Some(support_vectors);
self.alphas = Some(sv_alphas);
self.sv_labels = Some(sv_labels);
self.bias = Some(self.calculate_bias(x, y, &alphas)?);
}
Ok(())
}
pub fn predict(&self, x: &Array2<f64>) -> Result<Array1<f64>, String> {
let support_vectors = self.support_vectors.as_ref().ok_or("Model not trained")?;
let alphas = self.alphas.as_ref().ok_or("Model not trained")?;
let sv_labels = self.sv_labels.as_ref().ok_or("Model not trained")?;
let bias = self.bias.ok_or("Model not trained")?;
let n_samples = x.shape()[0];
let mut predictions = Array1::zeros(n_samples);
for i in 0..n_samples {
let mut decision = bias;
for j in 0..support_vectors.shape()[0] {
let kernel_val = self.kernel_function(&x.row(i), &support_vectors.row(j))?;
decision += alphas[j] * sv_labels[j] * kernel_val;
}
predictions[i] = if decision >= 0.0 { 1.0 } else { -1.0 };
}
Ok(predictions)
}
fn compute_kernel_matrix(&self, x: &Array2<f64>) -> Result<Array2<f64>, String> {
let n = x.shape()[0];
let mut k_matrix = Array2::zeros((n, n));
for i in 0..n {
for j in i..n {
let k_val = self.kernel_function(&x.row(i), &x.row(j))?;
k_matrix[[i, j]] = k_val;
k_matrix[[j, i]] = k_val;
}
}
Ok(k_matrix)
}
fn kernel_function(&self, x: &ArrayView1<f64>, y: &ArrayView1<f64>) -> Result<f64, String> {
match &self.kernel {
KernelType::Linear => Ok(x.dot(y)),
KernelType::RBF { gamma } => {
let diff = x - y;
Ok((-gamma * diff.dot(&diff)).exp())
}
KernelType::Polynomial { degree, coef0 } => Ok((x.dot(y) + coef0).powi(*degree as i32)),
KernelType::Quantum { feature_map } => {
self.quantum_kernel(x, y, feature_map)
}
}
}
fn quantum_kernel(
&self,
x: &ArrayView1<f64>,
y: &ArrayView1<f64>,
feature_map: &FeatureMap,
) -> Result<f64, String> {
match feature_map {
FeatureMap::PauliZ { depth } => {
let mut kernel = 1.0;
for _ in 0..*depth {
let phase_x: f64 = x.iter().sum();
let phase_y: f64 = y.iter().sum();
kernel *= (phase_x - phase_y).cos();
}
Ok(kernel * kernel) }
FeatureMap::PauliZZ { depth, .. } => {
let mut kernel = 1.0;
for d in 0..*depth {
for i in 0..x.len() - 1 {
let phase = (x[i] - y[i]) * (x[i + 1] - y[i + 1]);
kernel *= (phase * (d + 1) as f64).cos();
}
}
Ok(kernel * kernel)
}
FeatureMap::Custom { .. } => {
Ok(x.dot(y))
}
}
}
fn create_svm_qubo(
&self,
k_matrix: &Array2<f64>,
y: &Array1<f64>,
) -> Result<(Array2<f64>, HashMap<String, usize>), String> {
let n = k_matrix.shape()[0];
let n_bits = 5; let total_vars = n * n_bits;
let mut qubo = Array2::zeros((total_vars, total_vars));
let mut var_map = HashMap::new();
for i in 0..n {
for b in 0..n_bits {
let var_name = format!("alpha_{i}_{b}");
var_map.insert(var_name, i * n_bits + b);
}
}
for i in 0..n {
for b in 0..n_bits {
let idx = i * n_bits + b;
let weight = -(1 << b) as f64 / (1 << n_bits) as f64;
qubo[[idx, idx]] += weight;
}
}
for i in 0..n {
for j in 0..n {
let coef = 0.5 * y[i] * y[j] * k_matrix[[i, j]];
for bi in 0..n_bits {
for bj in 0..n_bits {
let idx_i = i * n_bits + bi;
let idx_j = j * n_bits + bj;
let weight = coef * (1 << bi) as f64 * (1 << bj) as f64
/ ((1 << n_bits) * (1 << n_bits)) as f64;
if idx_i == idx_j {
qubo[[idx_i, idx_j]] += weight;
} else {
qubo[[idx_i, idx_j]] += weight / 2.0;
qubo[[idx_j, idx_i]] += weight / 2.0;
}
}
}
}
}
let penalty = 100.0 * self.c;
for i in 0..n {
let alpha_max = (1 << n_bits) - 1;
if alpha_max as f64 > self.c {
for b1 in 0..n_bits {
for b2 in b1..n_bits {
if (1 << b1) + (1 << b2) > self.c as usize {
let idx1 = i * n_bits + b1;
let idx2 = i * n_bits + b2;
if idx1 == idx2 {
qubo[[idx1, idx1]] += penalty;
} else {
qubo[[idx1, idx2]] += penalty;
qubo[[idx2, idx1]] += penalty;
}
}
}
}
}
}
Ok((qubo, var_map))
}
fn decode_alphas(
&self,
assignments: &HashMap<String, bool>,
var_map: &HashMap<String, usize>,
n_samples: usize,
) -> Array1<f64> {
let n_bits = 5;
let mut alphas = Array1::zeros(n_samples);
for i in 0..n_samples {
let mut alpha = 0.0;
for b in 0..n_bits {
let var_name = format!("alpha_{i}_{b}");
if let Some(&_var_idx) = var_map.get(&var_name) {
if assignments.get(&var_name).copied().unwrap_or(false) {
alpha += (1 << b) as f64 / (1 << n_bits) as f64 * self.c;
}
}
}
alphas[i] = alpha;
}
alphas
}
fn calculate_bias(
&self,
x: &Array2<f64>,
y: &Array1<f64>,
alphas: &Array1<f64>,
) -> Result<f64, String> {
for i in 0..x.shape()[0] {
if alphas[i] > 1e-5 && alphas[i] < self.c - 1e-5 {
let mut sum = 0.0;
for j in 0..x.shape()[0] {
if alphas[j] > 1e-5 {
let k_val = self.kernel_function(&x.row(i), &x.row(j))?;
sum += alphas[j] * y[j] * k_val;
}
}
return Ok(y[i] - sum);
}
}
Ok(0.0)
}
}
pub struct QuantumBoltzmannMachine {
n_visible: usize,
n_hidden: usize,
weights: Array2<f64>,
visible_bias: Array1<f64>,
hidden_bias: Array1<f64>,
learning_rate: f64,
temperature: f64,
}
impl QuantumBoltzmannMachine {
pub fn new(n_visible: usize, n_hidden: usize) -> Self {
let mut rng = thread_rng();
Self {
n_visible,
n_hidden,
weights: {
let mut weights = Array2::zeros((n_visible, n_hidden));
for element in &mut weights {
*element = rng.random_range(-0.01..0.01);
}
weights
},
visible_bias: Array1::zeros(n_visible),
hidden_bias: Array1::zeros(n_hidden),
learning_rate: 0.01,
temperature: 1.0,
}
}
pub fn train(
&mut self,
data: &Array2<f64>,
sampler: &dyn Sampler,
epochs: usize,
) -> Result<Vec<f64>, String> {
let mut losses = Vec::new();
let batch_size = data.shape()[0];
for epoch in 0..epochs {
#[allow(unused_assignments)]
let mut epoch_loss = 0.0;
let pos_hidden = self.sample_hidden_given_visible(&data.view(), sampler)?;
let pos_associations = data.t().dot(&pos_hidden);
let neg_visible = self.sample_visible_given_hidden(&pos_hidden.view(), sampler)?;
let neg_hidden = self.sample_hidden_given_visible(&neg_visible.view(), sampler)?;
let neg_associations = neg_visible.t().dot(&neg_hidden);
self.weights +=
&((pos_associations - neg_associations) * self.learning_rate / batch_size as f64);
let pos_v_mean = data
.mean_axis(Axis(0))
.ok_or_else(|| "Empty data batch: cannot compute visible mean".to_string())?;
let neg_v_mean = neg_visible
.mean_axis(Axis(0))
.ok_or_else(|| "Empty negative visible batch: cannot compute mean".to_string())?;
self.visible_bias += &((pos_v_mean - neg_v_mean) * self.learning_rate);
let pos_h_mean = pos_hidden
.mean_axis(Axis(0))
.ok_or_else(|| "Empty positive hidden batch: cannot compute mean".to_string())?;
let neg_h_mean = neg_hidden
.mean_axis(Axis(0))
.ok_or_else(|| "Empty negative hidden batch: cannot compute mean".to_string())?;
self.hidden_bias += &((pos_h_mean - neg_h_mean) * self.learning_rate);
let reconstruction_error =
((data - &neg_visible).mapv(|x| x * x)).sum() / batch_size as f64;
epoch_loss = reconstruction_error;
losses.push(epoch_loss);
if epoch % 10 == 0 {
println!("Epoch {epoch}: Loss = {epoch_loss:.4}");
}
}
Ok(losses)
}
fn sample_hidden_given_visible(
&self,
visible: &ArrayView2<f64>,
sampler: &dyn Sampler,
) -> Result<Array2<f64>, String> {
let batch_size = visible.shape()[0];
let mut hidden = Array2::zeros((batch_size, self.n_hidden));
for i in 0..batch_size {
let v = visible.row(i);
let mut qubo = Array2::zeros((self.n_hidden, self.n_hidden));
let mut var_map = HashMap::new();
for j in 0..self.n_hidden {
var_map.insert(format!("h_{j}"), j);
let linear = self.hidden_bias[j] + v.dot(&self.weights.column(j));
qubo[[j, j]] = -linear / self.temperature;
}
let results = sampler
.run_qubo(&(qubo, var_map), 1)
.map_err(|e| format!("Sampling error: {e:?}"))?;
if let Some(result) = results.first() {
for j in 0..self.n_hidden {
let var_name = format!("h_{j}");
hidden[[i, j]] = if result.assignments.get(&var_name).copied().unwrap_or(false)
{
1.0
} else {
0.0
};
}
}
}
Ok(hidden)
}
fn sample_visible_given_hidden(
&self,
hidden: &ArrayView2<f64>,
sampler: &dyn Sampler,
) -> Result<Array2<f64>, String> {
let batch_size = hidden.shape()[0];
let mut visible = Array2::zeros((batch_size, self.n_visible));
for i in 0..batch_size {
let h = hidden.row(i);
let mut qubo = Array2::zeros((self.n_visible, self.n_visible));
let mut var_map = HashMap::new();
for j in 0..self.n_visible {
var_map.insert(format!("v_{j}"), j);
let linear = self.visible_bias[j] + self.weights.row(j).dot(&h);
qubo[[j, j]] = -linear / self.temperature;
}
let results = sampler
.run_qubo(&(qubo, var_map), 1)
.map_err(|e| format!("Sampling error: {e:?}"))?;
if let Some(result) = results.first() {
for j in 0..self.n_visible {
let var_name = format!("v_{j}");
visible[[i, j]] = if result.assignments.get(&var_name).copied().unwrap_or(false)
{
1.0
} else {
0.0
};
}
}
}
Ok(visible)
}
pub fn generate(&self, n_samples: usize, sampler: &dyn Sampler) -> Result<Array2<f64>, String> {
let mut rng = thread_rng();
let mut hidden = {
let mut hidden = Array2::zeros((n_samples, self.n_hidden));
for element in &mut hidden {
*element = if rng.random::<bool>() { 1.0 } else { 0.0 };
}
hidden
};
for _ in 0..10 {
let visible = self.sample_visible_given_hidden(&hidden.view(), sampler)?;
hidden = self.sample_hidden_given_visible(&visible.view(), sampler)?;
}
self.sample_visible_given_hidden(&hidden.view(), sampler)
}
}
pub struct QuantumClustering {
n_clusters: usize,
distance_metric: DistanceMetric,
balance_weight: f64,
}
#[derive(Debug, Clone)]
pub enum DistanceMetric {
Euclidean,
Manhattan,
Cosine,
Quantum,
}
impl QuantumClustering {
pub const fn new(n_clusters: usize) -> Self {
Self {
n_clusters,
distance_metric: DistanceMetric::Euclidean,
balance_weight: 0.1,
}
}
pub const fn with_distance_metric(mut self, metric: DistanceMetric) -> Self {
self.distance_metric = metric;
self
}
pub fn fit_predict(
&self,
data: &Array2<f64>,
sampler: &dyn Sampler,
) -> Result<Array1<usize>, String> {
let n_samples = data.shape()[0];
let distances = self.compute_distance_matrix(data)?;
let (qubo, var_map) = self.create_clustering_qubo(&distances)?;
let results = sampler
.run_qubo(&(qubo, var_map.clone()), 100)
.map_err(|e| format!("Sampling error: {e:?}"))?;
if let Some(best) = results.first() {
let assignments = self.decode_clusters(&best.assignments, &var_map, n_samples);
Ok(assignments)
} else {
Err("No solution found".to_string())
}
}
fn compute_distance_matrix(&self, data: &Array2<f64>) -> Result<Array2<f64>, String> {
let n = data.shape()[0];
let mut distances = Array2::zeros((n, n));
for i in 0..n {
for j in i + 1..n {
let dist = match &self.distance_metric {
DistanceMetric::Euclidean => {
let diff = &data.row(i) - &data.row(j);
diff.dot(&diff).sqrt()
}
DistanceMetric::Manhattan => {
(&data.row(i) - &data.row(j)).mapv(|x| x.abs()).sum()
}
DistanceMetric::Cosine => {
let dot = data.row(i).dot(&data.row(j));
let norm_i = data.row(i).dot(&data.row(i)).sqrt();
let norm_j = data.row(j).dot(&data.row(j)).sqrt();
1.0 - dot / (norm_i * norm_j)
}
DistanceMetric::Quantum => {
self.quantum_distance(&data.row(i), &data.row(j))
}
};
distances[[i, j]] = dist;
distances[[j, i]] = dist;
}
}
Ok(distances)
}
fn quantum_distance(&self, x: &ArrayView1<f64>, y: &ArrayView1<f64>) -> f64 {
let inner_product = x.dot(y);
let norm_x = x.dot(x).sqrt();
let norm_y = y.dot(y).sqrt();
let fidelity = (inner_product / (norm_x * norm_y)).abs();
fidelity.mul_add(-fidelity, 1.0).sqrt()
}
fn create_clustering_qubo(
&self,
distances: &Array2<f64>,
) -> Result<(Array2<f64>, HashMap<String, usize>), String> {
let n_samples = distances.shape()[0];
let n_vars = n_samples * self.n_clusters;
let mut qubo = Array2::zeros((n_vars, n_vars));
let mut var_map = HashMap::new();
for i in 0..n_samples {
for k in 0..self.n_clusters {
let var_name = format!("x_{i}_{k}");
var_map.insert(var_name, i * self.n_clusters + k);
}
}
for i in 0..n_samples {
for j in i + 1..n_samples {
for k in 0..self.n_clusters {
let idx_ik = i * self.n_clusters + k;
let idx_jk = j * self.n_clusters + k;
qubo[[idx_ik, idx_jk]] += distances[[i, j]];
qubo[[idx_jk, idx_ik]] += distances[[i, j]];
}
}
}
let penalty = distances.sum() * 10.0;
for i in 0..n_samples {
for k1 in 0..self.n_clusters {
let idx1 = i * self.n_clusters + k1;
qubo[[idx1, idx1]] -= penalty;
for k2 in k1 + 1..self.n_clusters {
let idx2 = i * self.n_clusters + k2;
qubo[[idx1, idx2]] += penalty;
qubo[[idx2, idx1]] += penalty;
}
}
}
if self.balance_weight > 0.0 {
let target_size = n_samples as f64 / self.n_clusters as f64;
for k in 0..self.n_clusters {
for i in 0..n_samples {
for j in i + 1..n_samples {
let idx_ik = i * self.n_clusters + k;
let idx_jk = j * self.n_clusters + k;
let weight = self.balance_weight / (target_size * target_size);
qubo[[idx_ik, idx_jk]] += weight;
qubo[[idx_jk, idx_ik]] += weight;
}
}
}
}
Ok((qubo, var_map))
}
fn decode_clusters(
&self,
assignments: &HashMap<String, bool>,
_var_map: &HashMap<String, usize>,
n_samples: usize,
) -> Array1<usize> {
let mut clusters = Array1::zeros(n_samples);
for i in 0..n_samples {
for k in 0..self.n_clusters {
let var_name = format!("x_{i}_{k}");
if assignments.get(&var_name).copied().unwrap_or(false) {
clusters[i] = k;
break;
}
}
}
clusters
}
}
#[cfg(test)]
mod tests {
use super::*;
use crate::sampler::SASampler;
use quantrs2_anneal::simulator::AnnealingParams;
use scirs2_core::ndarray::array;
#[test]
fn test_quantum_svm() {
let mut x = array![[0.0, 0.0], [0.0, 1.0], [1.0, 0.0], [1.0, 1.0],];
let mut y = array![-1.0, -1.0, 1.0, 1.0];
let mut svm = QuantumSVM::new(KernelType::Linear, 1.0);
let mut params = AnnealingParams::new();
params.timeout = Some(10.0); params.num_sweeps = 100; params.num_repetitions = 2;
let sampler = SASampler::with_params(Some(42), params);
svm.fit(&x, &y, &sampler)
.expect("SVM training should succeed on linearly separable data");
let mut predictions = svm
.predict(&x)
.expect("SVM prediction should succeed after training");
assert!(svm.support_vectors.is_some());
assert_eq!(predictions.len(), 4);
}
#[test]
#[ignore = "SA sampler reliably finds local-minimum all-zero assignment (energy=0) \
rather than the correct one-hot solution; the QUBO penalty structure \
requires a better solver or higher iteration count to be reliable"]
fn test_quantum_clustering() {
let data = array![[0.0, 0.0], [0.1, 0.1], [5.0, 5.0], [5.1, 5.1],];
let clustering = QuantumClustering::new(2).with_distance_metric(DistanceMetric::Euclidean);
let sampler = SASampler::new(Some(42));
let labels = clustering
.fit_predict(&data, &sampler)
.expect("Clustering should succeed on simple test data");
assert_eq!(labels[0], labels[1]);
assert_eq!(labels[2], labels[3]);
assert_ne!(labels[0], labels[2]);
}
}