use super::config::{AnsatzType, EntanglementPattern, QMLLayerConfig, RotationGate};
use super::types::{
AttentionHead, ConvolutionalFilter, DenseConnection, LSTMGate, LSTMGateType, PQCGate,
PQCGateType, TwoQubitGate,
};
use crate::error::Result;
use crate::statevector::StateVectorSimulator;
use crate::SimulatorError;
use scirs2_core::ndarray::Array1;
use scirs2_core::random::prelude::*;
use scirs2_core::Complex64;
use std::f64::consts::PI;
pub trait QMLLayer: std::fmt::Debug + Send + Sync {
fn forward(&mut self, input: &Array1<Complex64>) -> Result<Array1<Complex64>>;
fn backward(&mut self, gradient: &Array1<f64>) -> Result<Array1<f64>>;
fn get_parameters(&self) -> Array1<f64>;
fn set_parameters(&mut self, parameters: &Array1<f64>);
fn get_depth(&self) -> usize;
fn get_gate_count(&self) -> usize;
fn get_num_parameters(&self) -> usize;
}
#[derive(Debug)]
pub struct ParameterizedQuantumCircuitLayer {
num_qubits: usize,
config: QMLLayerConfig,
parameters: Array1<f64>,
circuit_structure: Vec<PQCGate>,
simulator: StateVectorSimulator,
}
impl ParameterizedQuantumCircuitLayer {
pub fn new(num_qubits: usize, config: QMLLayerConfig) -> Result<Self> {
let mut layer = Self {
num_qubits,
config: config.clone(),
parameters: Array1::zeros(config.num_parameters),
circuit_structure: Vec::new(),
simulator: StateVectorSimulator::new(),
};
layer.initialize_parameters();
layer.build_circuit_structure()?;
Ok(layer)
}
fn initialize_parameters(&mut self) {
let mut rng = thread_rng();
for param in &mut self.parameters {
*param = rng.random_range(-PI..PI);
}
}
fn build_circuit_structure(&mut self) -> Result<()> {
match self.config.ansatz_type {
AnsatzType::Hardware => self.build_hardware_efficient_ansatz(),
AnsatzType::Layered => self.build_layered_ansatz(),
AnsatzType::BrickWall => self.build_brick_wall_ansatz(),
_ => Err(SimulatorError::InvalidConfiguration(
"Ansatz type not implemented".to_string(),
)),
}
}
fn build_hardware_efficient_ansatz(&mut self) -> Result<()> {
let mut param_idx = 0;
for _layer in 0..self.config.depth {
for qubit in 0..self.num_qubits {
for &gate_type in &self.config.rotation_gates {
if param_idx < self.parameters.len() {
self.circuit_structure.push(PQCGate {
gate_type: PQCGateType::SingleQubit(gate_type),
qubits: vec![qubit],
parameter_index: Some(param_idx),
});
param_idx += 1;
}
}
}
self.add_entangling_gates(¶m_idx);
}
Ok(())
}
fn build_layered_ansatz(&mut self) -> Result<()> {
self.build_hardware_efficient_ansatz()
}
fn build_brick_wall_ansatz(&mut self) -> Result<()> {
let mut param_idx = 0;
for layer in 0..self.config.depth {
let offset = layer % 2;
for i in (offset..self.num_qubits - 1).step_by(2) {
self.circuit_structure.push(PQCGate {
gate_type: PQCGateType::TwoQubit(TwoQubitGate::CNOT),
qubits: vec![i, i + 1],
parameter_index: None,
});
}
for qubit in 0..self.num_qubits {
if param_idx < self.parameters.len() {
self.circuit_structure.push(PQCGate {
gate_type: PQCGateType::SingleQubit(RotationGate::RY),
qubits: vec![qubit],
parameter_index: Some(param_idx),
});
param_idx += 1;
}
}
}
Ok(())
}
fn add_entangling_gates(&mut self, _param_idx: &usize) {
match self.config.entanglement_pattern {
EntanglementPattern::Linear => {
for i in 0..(self.num_qubits - 1) {
self.circuit_structure.push(PQCGate {
gate_type: PQCGateType::TwoQubit(TwoQubitGate::CNOT),
qubits: vec![i, i + 1],
parameter_index: None,
});
}
}
EntanglementPattern::Circular => {
for i in 0..self.num_qubits {
let next = (i + 1) % self.num_qubits;
self.circuit_structure.push(PQCGate {
gate_type: PQCGateType::TwoQubit(TwoQubitGate::CNOT),
qubits: vec![i, next],
parameter_index: None,
});
}
}
EntanglementPattern::AllToAll => {
for i in 0..self.num_qubits {
for j in (i + 1)..self.num_qubits {
self.circuit_structure.push(PQCGate {
gate_type: PQCGateType::TwoQubit(TwoQubitGate::CNOT),
qubits: vec![i, j],
parameter_index: None,
});
}
}
}
_ => {
for i in 0..(self.num_qubits - 1) {
self.circuit_structure.push(PQCGate {
gate_type: PQCGateType::TwoQubit(TwoQubitGate::CNOT),
qubits: vec![i, i + 1],
parameter_index: None,
});
}
}
}
}
}
impl QMLLayer for ParameterizedQuantumCircuitLayer {
fn forward(&mut self, input: &Array1<Complex64>) -> Result<Array1<Complex64>> {
let mut state = input.clone();
for gate in &self.circuit_structure {
state = self.apply_gate(&state, gate)?;
}
Ok(state)
}
fn backward(&mut self, gradient: &Array1<f64>) -> Result<Array1<f64>> {
Ok(gradient.clone())
}
fn get_parameters(&self) -> Array1<f64> {
self.parameters.clone()
}
fn set_parameters(&mut self, parameters: &Array1<f64>) {
self.parameters = parameters.clone();
}
fn get_depth(&self) -> usize {
self.config.depth
}
fn get_gate_count(&self) -> usize {
self.circuit_structure.len()
}
fn get_num_parameters(&self) -> usize {
self.parameters.len()
}
}
impl ParameterizedQuantumCircuitLayer {
fn apply_gate(&self, state: &Array1<Complex64>, gate: &PQCGate) -> Result<Array1<Complex64>> {
match &gate.gate_type {
PQCGateType::SingleQubit(rotation_gate) => {
let angle = if let Some(param_idx) = gate.parameter_index {
self.parameters[param_idx]
} else {
0.0
};
Self::apply_single_qubit_gate(state, gate.qubits[0], *rotation_gate, angle)
}
PQCGateType::TwoQubit(two_qubit_gate) => {
Self::apply_two_qubit_gate(state, gate.qubits[0], gate.qubits[1], *two_qubit_gate)
}
}
}
fn apply_single_qubit_gate(
state: &Array1<Complex64>,
qubit: usize,
gate_type: RotationGate,
angle: f64,
) -> Result<Array1<Complex64>> {
let state_size = state.len();
let mut new_state = Array1::zeros(state_size);
match gate_type {
RotationGate::RX => {
let cos_half = (angle / 2.0).cos();
let sin_half = (angle / 2.0).sin();
for i in 0..state_size {
if i & (1 << qubit) == 0 {
let j = i | (1 << qubit);
if j < state_size {
new_state[i] = Complex64::new(cos_half, 0.0) * state[i]
+ Complex64::new(0.0, -sin_half) * state[j];
new_state[j] = Complex64::new(0.0, -sin_half) * state[i]
+ Complex64::new(cos_half, 0.0) * state[j];
}
}
}
}
RotationGate::RY => {
let cos_half = (angle / 2.0).cos();
let sin_half = (angle / 2.0).sin();
for i in 0..state_size {
if i & (1 << qubit) == 0 {
let j = i | (1 << qubit);
if j < state_size {
new_state[i] = Complex64::new(cos_half, 0.0) * state[i]
- Complex64::new(sin_half, 0.0) * state[j];
new_state[j] = Complex64::new(sin_half, 0.0) * state[i]
+ Complex64::new(cos_half, 0.0) * state[j];
}
}
}
}
RotationGate::RZ => {
let phase_0 = Complex64::from_polar(1.0, -angle / 2.0);
let phase_1 = Complex64::from_polar(1.0, angle / 2.0);
for i in 0..state_size {
if i & (1 << qubit) == 0 {
new_state[i] = phase_0 * state[i];
} else {
new_state[i] = phase_1 * state[i];
}
}
}
_ => {
return Err(SimulatorError::InvalidGate(
"Gate type not implemented".to_string(),
))
}
}
Ok(new_state)
}
fn apply_two_qubit_gate(
state: &Array1<Complex64>,
control: usize,
target: usize,
gate_type: TwoQubitGate,
) -> Result<Array1<Complex64>> {
let state_size = state.len();
let mut new_state = state.clone();
match gate_type {
TwoQubitGate::CNOT => {
for i in 0..state_size {
if (i & (1 << control)) != 0 {
let j = i ^ (1 << target);
new_state[i] = state[j];
}
}
}
TwoQubitGate::CZ => {
for i in 0..state_size {
if (i & (1 << control)) != 0 && (i & (1 << target)) != 0 {
new_state[i] = -state[i];
}
}
}
TwoQubitGate::SWAP => {
for i in 0..state_size {
let ctrl_bit = (i & (1 << control)) != 0;
let targ_bit = (i & (1 << target)) != 0;
if ctrl_bit != targ_bit {
let j = i ^ (1 << control) ^ (1 << target);
new_state[i] = state[j];
}
}
}
TwoQubitGate::CPhase => {
for i in 0..state_size {
if (i & (1 << control)) != 0 && (i & (1 << target)) != 0 {
new_state[i] = -state[i];
}
}
}
}
Ok(new_state)
}
}
#[derive(Debug)]
pub struct QuantumConvolutionalLayer {
num_qubits: usize,
config: QMLLayerConfig,
parameters: Array1<f64>,
conv_structure: Vec<ConvolutionalFilter>,
}
impl QuantumConvolutionalLayer {
pub fn new(num_qubits: usize, config: QMLLayerConfig) -> Result<Self> {
let mut layer = Self {
num_qubits,
config: config.clone(),
parameters: Array1::zeros(config.num_parameters),
conv_structure: Vec::new(),
};
layer.initialize_parameters();
layer.build_convolutional_structure()?;
Ok(layer)
}
fn initialize_parameters(&mut self) {
let mut rng = thread_rng();
for param in &mut self.parameters {
*param = rng.random_range(-PI..PI);
}
}
fn build_convolutional_structure(&mut self) -> Result<()> {
let filter_size = 2; let stride = 1;
let mut param_idx = 0;
for start in (0..=(self.num_qubits - filter_size)).step_by(stride) {
if param_idx + 2 <= self.parameters.len() {
self.conv_structure.push(ConvolutionalFilter {
qubits: vec![start, start + 1],
parameter_indices: vec![param_idx, param_idx + 1],
});
param_idx += 2;
}
}
Ok(())
}
}
impl QMLLayer for QuantumConvolutionalLayer {
fn forward(&mut self, input: &Array1<Complex64>) -> Result<Array1<Complex64>> {
let mut state = input.clone();
for filter in &self.conv_structure {
state = self.apply_convolutional_filter(&state, filter)?;
}
Ok(state)
}
fn backward(&mut self, gradient: &Array1<f64>) -> Result<Array1<f64>> {
Ok(gradient.clone())
}
fn get_parameters(&self) -> Array1<f64> {
self.parameters.clone()
}
fn set_parameters(&mut self, parameters: &Array1<f64>) {
self.parameters = parameters.clone();
}
fn get_depth(&self) -> usize {
self.conv_structure.len()
}
fn get_gate_count(&self) -> usize {
self.conv_structure.len() * 4 }
fn get_num_parameters(&self) -> usize {
self.parameters.len()
}
}
impl QuantumConvolutionalLayer {
fn apply_convolutional_filter(
&self,
state: &Array1<Complex64>,
filter: &ConvolutionalFilter,
) -> Result<Array1<Complex64>> {
let mut new_state = state.clone();
let param1 = self.parameters[filter.parameter_indices[0]];
let param2 = self.parameters[filter.parameter_indices[1]];
new_state = Self::apply_ry_to_state(&new_state, filter.qubits[0], param1)?;
new_state = Self::apply_ry_to_state(&new_state, filter.qubits[1], param2)?;
new_state = Self::apply_cnot_to_state(&new_state, filter.qubits[0], filter.qubits[1])?;
Ok(new_state)
}
fn apply_ry_to_state(
state: &Array1<Complex64>,
qubit: usize,
angle: f64,
) -> Result<Array1<Complex64>> {
let state_size = state.len();
let mut new_state = Array1::zeros(state_size);
let cos_half = (angle / 2.0).cos();
let sin_half = (angle / 2.0).sin();
for i in 0..state_size {
if i & (1 << qubit) == 0 {
let j = i | (1 << qubit);
if j < state_size {
new_state[i] = Complex64::new(cos_half, 0.0) * state[i]
- Complex64::new(sin_half, 0.0) * state[j];
new_state[j] = Complex64::new(sin_half, 0.0) * state[i]
+ Complex64::new(cos_half, 0.0) * state[j];
}
}
}
Ok(new_state)
}
fn apply_cnot_to_state(
state: &Array1<Complex64>,
control: usize,
target: usize,
) -> Result<Array1<Complex64>> {
let state_size = state.len();
let mut new_state = state.clone();
for i in 0..state_size {
if (i & (1 << control)) != 0 {
let j = i ^ (1 << target);
new_state[i] = state[j];
}
}
Ok(new_state)
}
}
#[derive(Debug)]
pub struct QuantumDenseLayer {
num_qubits: usize,
config: QMLLayerConfig,
parameters: Array1<f64>,
dense_structure: Vec<DenseConnection>,
}
impl QuantumDenseLayer {
pub fn new(num_qubits: usize, config: QMLLayerConfig) -> Result<Self> {
let mut layer = Self {
num_qubits,
config: config.clone(),
parameters: Array1::zeros(config.num_parameters),
dense_structure: Vec::new(),
};
layer.initialize_parameters();
layer.build_dense_structure()?;
Ok(layer)
}
fn initialize_parameters(&mut self) {
let mut rng = thread_rng();
for param in &mut self.parameters {
*param = rng.random_range(-PI..PI);
}
}
fn build_dense_structure(&mut self) -> Result<()> {
let mut param_idx = 0;
for i in 0..self.num_qubits {
for j in (i + 1)..self.num_qubits {
if param_idx < self.parameters.len() {
self.dense_structure.push(DenseConnection {
qubit1: i,
qubit2: j,
parameter_index: param_idx,
});
param_idx += 1;
}
}
}
Ok(())
}
}
impl QMLLayer for QuantumDenseLayer {
fn forward(&mut self, input: &Array1<Complex64>) -> Result<Array1<Complex64>> {
let mut state = input.clone();
for connection in &self.dense_structure {
state = self.apply_dense_connection(&state, connection)?;
}
Ok(state)
}
fn backward(&mut self, gradient: &Array1<f64>) -> Result<Array1<f64>> {
Ok(gradient.clone())
}
fn get_parameters(&self) -> Array1<f64> {
self.parameters.clone()
}
fn set_parameters(&mut self, parameters: &Array1<f64>) {
self.parameters = parameters.clone();
}
fn get_depth(&self) -> usize {
1 }
fn get_gate_count(&self) -> usize {
self.dense_structure.len() * 2 }
fn get_num_parameters(&self) -> usize {
self.parameters.len()
}
}
impl QuantumDenseLayer {
fn apply_dense_connection(
&self,
state: &Array1<Complex64>,
connection: &DenseConnection,
) -> Result<Array1<Complex64>> {
let angle = self.parameters[connection.parameter_index];
Self::apply_parameterized_two_qubit_gate(state, connection.qubit1, connection.qubit2, angle)
}
fn apply_parameterized_two_qubit_gate(
state: &Array1<Complex64>,
qubit1: usize,
qubit2: usize,
angle: f64,
) -> Result<Array1<Complex64>> {
let state_size = state.len();
let mut new_state = state.clone();
let cos_val = angle.cos();
let sin_val = angle.sin();
for i in 0..state_size {
if (i & (1 << qubit1)) != 0 && (i & (1 << qubit2)) != 0 {
let phase = Complex64::new(cos_val, sin_val);
new_state[i] *= phase;
}
}
Ok(new_state)
}
}
#[derive(Debug)]
pub struct QuantumLSTMLayer {
num_qubits: usize,
config: QMLLayerConfig,
parameters: Array1<f64>,
lstm_gates: Vec<LSTMGate>,
hidden_state: Option<Array1<Complex64>>,
cell_state: Option<Array1<Complex64>>,
}
impl QuantumLSTMLayer {
pub fn new(num_qubits: usize, config: QMLLayerConfig) -> Result<Self> {
let mut layer = Self {
num_qubits,
config: config.clone(),
parameters: Array1::zeros(config.num_parameters),
lstm_gates: Vec::new(),
hidden_state: None,
cell_state: None,
};
layer.initialize_parameters();
layer.build_lstm_structure()?;
Ok(layer)
}
fn initialize_parameters(&mut self) {
let mut rng = thread_rng();
for param in &mut self.parameters {
*param = rng.random_range(-PI..PI);
}
}
fn build_lstm_structure(&mut self) -> Result<()> {
let params_per_gate = self.parameters.len() / 4;
self.lstm_gates = vec![
LSTMGate {
gate_type: LSTMGateType::Forget,
parameter_start: 0,
parameter_count: params_per_gate,
},
LSTMGate {
gate_type: LSTMGateType::Input,
parameter_start: params_per_gate,
parameter_count: params_per_gate,
},
LSTMGate {
gate_type: LSTMGateType::Output,
parameter_start: 2 * params_per_gate,
parameter_count: params_per_gate,
},
LSTMGate {
gate_type: LSTMGateType::Candidate,
parameter_start: 3 * params_per_gate,
parameter_count: params_per_gate,
},
];
Ok(())
}
}
impl QMLLayer for QuantumLSTMLayer {
fn forward(&mut self, input: &Array1<Complex64>) -> Result<Array1<Complex64>> {
if self.hidden_state.is_none() {
let state_size = 1 << self.num_qubits;
let mut hidden = Array1::zeros(state_size);
let mut cell = Array1::zeros(state_size);
hidden[0] = Complex64::new(1.0, 0.0);
cell[0] = Complex64::new(1.0, 0.0);
self.hidden_state = Some(hidden);
self.cell_state = Some(cell);
}
let mut current_state = input.clone();
for gate in &self.lstm_gates {
current_state = self.apply_lstm_gate(¤t_state, gate)?;
}
self.hidden_state = Some(current_state.clone());
Ok(current_state)
}
fn backward(&mut self, gradient: &Array1<f64>) -> Result<Array1<f64>> {
Ok(gradient.clone())
}
fn get_parameters(&self) -> Array1<f64> {
self.parameters.clone()
}
fn set_parameters(&mut self, parameters: &Array1<f64>) {
self.parameters = parameters.clone();
}
fn get_depth(&self) -> usize {
self.lstm_gates.len()
}
fn get_gate_count(&self) -> usize {
self.parameters.len() }
fn get_num_parameters(&self) -> usize {
self.parameters.len()
}
}
impl QuantumLSTMLayer {
fn apply_lstm_gate(
&self,
state: &Array1<Complex64>,
gate: &LSTMGate,
) -> Result<Array1<Complex64>> {
let mut new_state = state.clone();
for i in 0..gate.parameter_count {
let param_idx = gate.parameter_start + i;
if param_idx < self.parameters.len() {
let angle = self.parameters[param_idx];
let qubit = i % self.num_qubits;
new_state = Self::apply_rotation(&new_state, qubit, angle)?;
}
}
Ok(new_state)
}
fn apply_rotation(
state: &Array1<Complex64>,
qubit: usize,
angle: f64,
) -> Result<Array1<Complex64>> {
let state_size = state.len();
let mut new_state = Array1::zeros(state_size);
let cos_half = (angle / 2.0).cos();
let sin_half = (angle / 2.0).sin();
for i in 0..state_size {
if i & (1 << qubit) == 0 {
let j = i | (1 << qubit);
if j < state_size {
new_state[i] = Complex64::new(cos_half, 0.0) * state[i]
- Complex64::new(sin_half, 0.0) * state[j];
new_state[j] = Complex64::new(sin_half, 0.0) * state[i]
+ Complex64::new(cos_half, 0.0) * state[j];
}
}
}
Ok(new_state)
}
#[must_use]
pub fn get_lstm_gates(&self) -> &[LSTMGate] {
&self.lstm_gates
}
}
#[derive(Debug)]
pub struct QuantumAttentionLayer {
num_qubits: usize,
config: QMLLayerConfig,
parameters: Array1<f64>,
attention_structure: Vec<AttentionHead>,
}
impl QuantumAttentionLayer {
pub fn new(num_qubits: usize, config: QMLLayerConfig) -> Result<Self> {
let mut layer = Self {
num_qubits,
config: config.clone(),
parameters: Array1::zeros(config.num_parameters),
attention_structure: Vec::new(),
};
layer.initialize_parameters();
layer.build_attention_structure()?;
Ok(layer)
}
fn initialize_parameters(&mut self) {
let mut rng = thread_rng();
for param in &mut self.parameters {
*param = rng.random_range(-PI..PI);
}
}
fn build_attention_structure(&mut self) -> Result<()> {
let num_heads = 2; let params_per_head = self.parameters.len() / num_heads;
for head in 0..num_heads {
self.attention_structure.push(AttentionHead {
head_id: head,
parameter_start: head * params_per_head,
parameter_count: params_per_head,
query_qubits: (0..self.num_qubits / 2).collect(),
key_qubits: (self.num_qubits / 2..self.num_qubits).collect(),
});
}
Ok(())
}
}
impl QMLLayer for QuantumAttentionLayer {
fn forward(&mut self, input: &Array1<Complex64>) -> Result<Array1<Complex64>> {
let mut state = input.clone();
for head in &self.attention_structure {
state = self.apply_attention_head(&state, head)?;
}
Ok(state)
}
fn backward(&mut self, gradient: &Array1<f64>) -> Result<Array1<f64>> {
Ok(gradient.clone())
}
fn get_parameters(&self) -> Array1<f64> {
self.parameters.clone()
}
fn set_parameters(&mut self, parameters: &Array1<f64>) {
self.parameters = parameters.clone();
}
fn get_depth(&self) -> usize {
self.attention_structure.len()
}
fn get_gate_count(&self) -> usize {
self.parameters.len()
}
fn get_num_parameters(&self) -> usize {
self.parameters.len()
}
}
impl QuantumAttentionLayer {
fn apply_attention_head(
&self,
state: &Array1<Complex64>,
head: &AttentionHead,
) -> Result<Array1<Complex64>> {
let mut new_state = state.clone();
for i in 0..head.parameter_count {
let param_idx = head.parameter_start + i;
if param_idx < self.parameters.len() {
let angle = self.parameters[param_idx];
if i < head.query_qubits.len() && i < head.key_qubits.len() {
let query_qubit = head.query_qubits[i];
let key_qubit = head.key_qubits[i];
new_state =
Self::apply_attention_gate(&new_state, query_qubit, key_qubit, angle)?;
}
}
}
Ok(new_state)
}
fn apply_attention_gate(
state: &Array1<Complex64>,
query_qubit: usize,
key_qubit: usize,
angle: f64,
) -> Result<Array1<Complex64>> {
let state_size = state.len();
let mut new_state = state.clone();
let cos_val = angle.cos();
let sin_val = angle.sin();
for i in 0..state_size {
if (i & (1 << query_qubit)) != 0 {
let key_state = (i & (1 << key_qubit)) != 0;
let attention_phase = if key_state {
Complex64::new(cos_val, sin_val)
} else {
Complex64::new(cos_val, -sin_val)
};
new_state[i] *= attention_phase;
}
}
Ok(new_state)
}
#[must_use]
pub fn get_attention_structure(&self) -> &[AttentionHead] {
&self.attention_structure
}
}