use crate::error::{MLError, Result};
use scirs2_core::ndarray::{Array, Array1, Array2, Array3, ArrayD, ArrayViewD, Dimension, IxDyn};
use std::collections::HashMap;
pub trait SciRS2Tensor {
fn shape(&self) -> &[usize];
fn view(&self) -> ArrayViewD<f64>;
fn to_scirs2(&self) -> Result<SciRS2Array>;
fn matmul(&self, other: &dyn SciRS2Tensor) -> Result<SciRS2Array>;
fn add(&self, other: &dyn SciRS2Tensor) -> Result<SciRS2Array>;
fn mul(&self, other: &dyn SciRS2Tensor) -> Result<SciRS2Array>;
fn sub(&self, other: &dyn SciRS2Tensor) -> Result<SciRS2Array>;
fn sum(&self, axis: Option<usize>) -> Result<SciRS2Array>;
fn mean(&self, axis: Option<usize>) -> Result<SciRS2Array>;
fn max(&self, axis: Option<usize>) -> Result<SciRS2Array>;
fn min(&self, axis: Option<usize>) -> Result<SciRS2Array>;
}
pub struct SciRS2Array {
pub data: ArrayD<f64>,
pub requires_grad: bool,
pub grad: Option<ArrayD<f64>>,
pub grad_fn: Option<Box<dyn GradFunction>>,
}
impl std::fmt::Debug for SciRS2Array {
fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
f.debug_struct("SciRS2Array")
.field("data", &self.data)
.field("requires_grad", &self.requires_grad)
.field("grad", &self.grad)
.field("grad_fn", &"<gradient_function>")
.finish()
}
}
impl Clone for SciRS2Array {
fn clone(&self) -> Self {
Self {
data: self.data.clone(),
requires_grad: self.requires_grad,
grad: self.grad.clone(),
grad_fn: None, }
}
}
impl SciRS2Array {
pub fn new(data: ArrayD<f64>, requires_grad: bool) -> Self {
let grad = if requires_grad {
Some(ArrayD::zeros(data.raw_dim()))
} else {
None
};
Self {
data,
requires_grad,
grad,
grad_fn: None,
}
}
pub fn from_array<D: Dimension>(arr: Array<f64, D>) -> Self {
let data = arr.into_dyn();
Self::new(data, false)
}
pub fn with_grad<D: Dimension>(arr: Array<f64, D>) -> Self {
let data = arr.into_dyn();
Self::new(data, true)
}
pub fn zero_grad(&mut self) {
if let Some(ref mut grad) = self.grad {
grad.fill(0.0);
}
}
pub fn backward(&mut self) -> Result<()> {
if let Some(grad_fn) = self.grad_fn.take() {
grad_fn.backward(self)?;
self.grad_fn = Some(grad_fn);
}
Ok(())
}
pub fn matmul(&self, other: &SciRS2Array) -> Result<SciRS2Array> {
let result_data = if self.data.ndim() == 2 && other.data.ndim() == 2 {
let self_2d = self
.data
.view()
.into_dimensionality::<scirs2_core::ndarray::Ix2>()
.map_err(|e| MLError::ComputationError(format!("Shape error: {}", e)))?;
let other_2d = other
.data
.view()
.into_dimensionality::<scirs2_core::ndarray::Ix2>()
.map_err(|e| MLError::ComputationError(format!("Shape error: {}", e)))?;
self_2d.dot(&other_2d).into_dyn()
} else {
return Err(MLError::InvalidConfiguration(
"Matrix multiplication requires 2D arrays".to_string(),
));
};
let requires_grad = self.requires_grad || other.requires_grad;
let mut result = SciRS2Array::new(result_data, requires_grad);
if requires_grad {
result.grad_fn = Some(Box::new(MatmulGradFn {
left_shape: self.data.raw_dim(),
right_shape: other.data.raw_dim(),
}));
}
Ok(result)
}
pub fn add(&self, other: &SciRS2Array) -> Result<SciRS2Array> {
let result_data = &self.data + &other.data;
let requires_grad = self.requires_grad || other.requires_grad;
let mut result = SciRS2Array::new(result_data, requires_grad);
if requires_grad {
result.grad_fn = Some(Box::new(AddGradFn));
}
Ok(result)
}
pub fn mul(&self, other: &SciRS2Array) -> Result<SciRS2Array> {
let result_data = &self.data * &other.data;
let requires_grad = self.requires_grad || other.requires_grad;
let mut result = SciRS2Array::new(result_data, requires_grad);
if requires_grad {
result.grad_fn = Some(Box::new(MulGradFn {
left_data: self.data.clone(),
right_data: other.data.clone(),
}));
}
Ok(result)
}
pub fn sum(&self, axis: Option<usize>) -> Result<SciRS2Array> {
let result_data = match axis {
Some(ax) => self
.data
.sum_axis(scirs2_core::ndarray::Axis(ax))
.into_dyn(),
None => {
let sum_val = self.data.sum();
ArrayD::from_elem(IxDyn(&[]), sum_val)
}
};
let mut result = SciRS2Array::new(result_data, self.requires_grad);
if self.requires_grad {
result.grad_fn = Some(Box::new(SumGradFn { axis }));
}
Ok(result)
}
}
impl SciRS2Tensor for SciRS2Array {
fn shape(&self) -> &[usize] {
self.data.shape()
}
fn view(&self) -> ArrayViewD<f64> {
self.data.view()
}
fn to_scirs2(&self) -> Result<SciRS2Array> {
Ok(self.clone())
}
fn matmul(&self, other: &dyn SciRS2Tensor) -> Result<SciRS2Array> {
let other_array = other.to_scirs2()?;
self.matmul(&other_array)
}
fn add(&self, other: &dyn SciRS2Tensor) -> Result<SciRS2Array> {
let other_array = other.to_scirs2()?;
self.add(&other_array)
}
fn mul(&self, other: &dyn SciRS2Tensor) -> Result<SciRS2Array> {
let other_array = other.to_scirs2()?;
self.mul(&other_array)
}
fn sub(&self, other: &dyn SciRS2Tensor) -> Result<SciRS2Array> {
let result_data = &self.data - &other.to_scirs2()?.data;
let requires_grad = self.requires_grad || other.to_scirs2()?.requires_grad;
Ok(SciRS2Array::new(result_data, requires_grad))
}
fn sum(&self, axis: Option<usize>) -> Result<SciRS2Array> {
self.sum(axis)
}
fn mean(&self, axis: Option<usize>) -> Result<SciRS2Array> {
let result_data = match axis {
Some(ax) => self
.data
.mean_axis(scirs2_core::ndarray::Axis(ax))
.ok_or_else(|| {
MLError::ComputationError("Empty axis for mean computation".to_string())
})?
.into_dyn(),
None => {
let mean_val = self.data.mean().ok_or_else(|| {
MLError::ComputationError("Empty array for mean computation".to_string())
})?;
ArrayD::from_elem(IxDyn(&[]), mean_val)
}
};
Ok(SciRS2Array::new(result_data, self.requires_grad))
}
fn max(&self, axis: Option<usize>) -> Result<SciRS2Array> {
let result_data = match axis {
Some(ax) => self
.data
.map_axis(scirs2_core::ndarray::Axis(ax), |view| {
*view
.iter()
.max_by(|a, b| a.partial_cmp(b).unwrap_or(std::cmp::Ordering::Equal))
.expect("map_axis guarantees non-empty view for valid axis")
})
.into_dyn(),
None => {
let max_val = *self
.data
.iter()
.max_by(|a, b| a.partial_cmp(b).unwrap_or(std::cmp::Ordering::Equal))
.ok_or_else(|| {
MLError::ComputationError("Empty array for max computation".to_string())
})?;
ArrayD::from_elem(IxDyn(&[]), max_val)
}
};
Ok(SciRS2Array::new(result_data, self.requires_grad))
}
fn min(&self, axis: Option<usize>) -> Result<SciRS2Array> {
let result_data = match axis {
Some(ax) => self
.data
.map_axis(scirs2_core::ndarray::Axis(ax), |view| {
*view
.iter()
.min_by(|a, b| a.partial_cmp(b).unwrap_or(std::cmp::Ordering::Equal))
.expect("map_axis guarantees non-empty view for valid axis")
})
.into_dyn(),
None => {
let min_val = *self
.data
.iter()
.min_by(|a, b| a.partial_cmp(b).unwrap_or(std::cmp::Ordering::Equal))
.ok_or_else(|| {
MLError::ComputationError("Empty array for min computation".to_string())
})?;
ArrayD::from_elem(IxDyn(&[]), min_val)
}
};
Ok(SciRS2Array::new(result_data, self.requires_grad))
}
}
pub trait GradFunction: Send + Sync {
fn backward(&self, output: &mut SciRS2Array) -> Result<()>;
}
#[derive(Debug)]
struct MatmulGradFn {
left_shape: IxDyn,
right_shape: IxDyn,
}
impl GradFunction for MatmulGradFn {
fn backward(&self, _output: &mut SciRS2Array) -> Result<()> {
Ok(())
}
}
#[derive(Debug)]
struct AddGradFn;
impl GradFunction for AddGradFn {
fn backward(&self, _output: &mut SciRS2Array) -> Result<()> {
Ok(())
}
}
#[derive(Debug)]
struct MulGradFn {
left_data: ArrayD<f64>,
right_data: ArrayD<f64>,
}
impl GradFunction for MulGradFn {
fn backward(&self, _output: &mut SciRS2Array) -> Result<()> {
Ok(())
}
}
#[derive(Debug)]
struct SumGradFn {
axis: Option<usize>,
}
impl GradFunction for SumGradFn {
fn backward(&self, _output: &mut SciRS2Array) -> Result<()> {
Ok(())
}
}
pub struct SciRS2Optimizer {
pub optimizer_type: String,
pub config: HashMap<String, f64>,
pub state: HashMap<String, ArrayD<f64>>,
}
impl SciRS2Optimizer {
pub fn new(optimizer_type: impl Into<String>) -> Self {
Self {
optimizer_type: optimizer_type.into(),
config: HashMap::new(),
state: HashMap::new(),
}
}
pub fn with_config(mut self, key: impl Into<String>, value: f64) -> Self {
self.config.insert(key.into(), value);
self
}
pub fn step(&mut self, params: &mut HashMap<String, SciRS2Array>) -> Result<()> {
match self.optimizer_type.as_str() {
"adam" => self.adam_step(params),
"sgd" => self.sgd_step(params),
"lbfgs" => self.lbfgs_step(params),
_ => Err(MLError::InvalidConfiguration(format!(
"Unknown optimizer type: {}",
self.optimizer_type
))),
}
}
fn adam_step(&mut self, params: &mut HashMap<String, SciRS2Array>) -> Result<()> {
let learning_rate = self.config.get("learning_rate").unwrap_or(&0.001);
let beta1 = self.config.get("beta1").unwrap_or(&0.9);
let beta2 = self.config.get("beta2").unwrap_or(&0.999);
let epsilon = self.config.get("epsilon").unwrap_or(&1e-8);
for (name, param) in params.iter_mut() {
if let Some(ref grad) = param.grad {
let m_key = format!("{}_m", name);
let v_key = format!("{}_v", name);
if !self.state.contains_key(&m_key) {
self.state
.insert(m_key.clone(), ArrayD::zeros(grad.raw_dim()));
self.state
.insert(v_key.clone(), ArrayD::zeros(grad.raw_dim()));
}
{
let m = self
.state
.get_mut(&m_key)
.expect("m_key was just inserted if not present");
*m = *beta1 * &*m + (1.0 - *beta1) * grad;
}
{
let v = self
.state
.get_mut(&v_key)
.expect("v_key was just inserted if not present");
*v = *beta2 * &*v + (1.0 - *beta2) * grad * grad;
}
let m_hat = self
.state
.get(&m_key)
.expect("m_key exists after update")
.clone();
let v_hat = self
.state
.get(&v_key)
.expect("v_key exists after update")
.clone();
param.data =
¶m.data - *learning_rate * &m_hat / (v_hat.mapv(|x| x.sqrt()) + *epsilon);
}
}
Ok(())
}
fn sgd_step(&mut self, params: &mut HashMap<String, SciRS2Array>) -> Result<()> {
let learning_rate = self.config.get("learning_rate").unwrap_or(&0.01);
let momentum = self.config.get("momentum").unwrap_or(&0.0);
for (name, param) in params.iter_mut() {
if let Some(ref grad) = param.grad {
if *momentum > 0.0 {
let v_key = format!("{}_v", name);
if !self.state.contains_key(&v_key) {
self.state
.insert(v_key.clone(), ArrayD::zeros(grad.raw_dim()));
}
let v = self
.state
.get_mut(&v_key)
.expect("v_key was just inserted if not present");
*v = *momentum * &*v + *learning_rate * grad;
param.data = ¶m.data - &*v;
} else {
param.data = ¶m.data - *learning_rate * grad;
}
}
}
Ok(())
}
fn lbfgs_step(&mut self, _params: &mut HashMap<String, SciRS2Array>) -> Result<()> {
Ok(())
}
}
pub struct SciRS2DistributedTrainer {
pub world_size: usize,
pub rank: usize,
pub backend: String,
}
impl SciRS2DistributedTrainer {
pub fn new(world_size: usize, rank: usize) -> Self {
Self {
world_size,
rank,
backend: "nccl".to_string(),
}
}
pub fn all_reduce(&self, tensor: &mut SciRS2Array) -> Result<()> {
Ok(())
}
pub fn all_reduce_scalar(&self, value: f64) -> Result<f64> {
Ok(value)
}
pub fn broadcast(&self, tensor: &mut SciRS2Array, root: usize) -> Result<()> {
Ok(())
}
pub fn all_gather(&self, tensor: &SciRS2Array) -> Result<Vec<SciRS2Array>> {
Ok(vec![tensor.clone(); self.world_size])
}
pub fn wrap_model<T>(&self, model: T) -> Result<T> {
Ok(model)
}
}
pub struct SciRS2Serializer;
impl SciRS2Serializer {
pub fn save_model(params: &HashMap<String, SciRS2Array>, path: &str) -> Result<()> {
Ok(())
}
pub fn load_model(path: &str) -> Result<HashMap<String, SciRS2Array>> {
Ok(HashMap::new())
}
pub fn save_checkpoint(
params: &HashMap<String, SciRS2Array>,
optimizer: &SciRS2Optimizer,
epoch: usize,
path: &str,
) -> Result<()> {
Ok(())
}
pub fn load_checkpoint(
path: &str,
) -> Result<(HashMap<String, SciRS2Array>, SciRS2Optimizer, usize)> {
Ok((HashMap::new(), SciRS2Optimizer::new("adam"), 0))
}
}
pub struct SciRS2Dataset {
pub data: ArrayD<f64>,
pub labels: ArrayD<f64>,
pub size: usize,
}
impl SciRS2Dataset {
pub fn new(data: ArrayD<f64>, labels: ArrayD<f64>) -> Result<Self> {
let size = data.shape()[0];
if labels.shape()[0] != size {
return Err(MLError::InvalidConfiguration(
"Data and labels must have same number of samples".to_string(),
));
}
Ok(Self { data, labels, size })
}
}
pub struct SciRS2DataLoader {
pub dataset: SciRS2Dataset,
pub batch_size: usize,
pub current_index: usize,
}
impl SciRS2DataLoader {
pub fn new(dataset: SciRS2Dataset, batch_size: usize) -> Self {
Self {
dataset,
batch_size,
current_index: 0,
}
}
pub fn enumerate(&mut self) -> DataLoaderIterator {
DataLoaderIterator {
loader: self,
batch_idx: 0,
}
}
}
pub struct DataLoaderIterator<'a> {
loader: &'a mut SciRS2DataLoader,
batch_idx: usize,
}
impl<'a> Iterator for DataLoaderIterator<'a> {
type Item = (usize, (SciRS2Array, SciRS2Array));
fn next(&mut self) -> Option<Self::Item> {
if self.loader.current_index >= self.loader.dataset.size {
return None;
}
let start = self.loader.current_index;
let end = (start + self.loader.batch_size).min(self.loader.dataset.size);
let batch_data = self
.loader
.dataset
.data
.slice(scirs2_core::ndarray::s![start..end, ..])
.to_owned();
let batch_labels = self
.loader
.dataset
.labels
.slice(scirs2_core::ndarray::s![start..end, ..])
.to_owned();
let data_array = SciRS2Array::from_array(batch_data);
let label_array = SciRS2Array::from_array(batch_labels);
self.loader.current_index = end;
let batch_idx = self.batch_idx;
self.batch_idx += 1;
Some((batch_idx, (data_array, label_array)))
}
}
#[derive(Debug, Clone, Copy)]
pub enum SciRS2Device {
CPU,
GPU,
Quantum,
}
impl SciRS2Array {
pub fn randn(shape: Vec<usize>, device: SciRS2Device) -> Result<Self> {
use scirs2_core::random::prelude::*;
let total_size = shape.iter().product();
let mut rng = thread_rng();
let data: Vec<f64> = (0..total_size)
.map(|_| rng.random_range(-1.0..1.0))
.collect();
let array = ArrayD::from_shape_vec(IxDyn(&shape), data)
.map_err(|e| MLError::ComputationError(format!("Shape error: {}", e)))?;
Ok(Self::new(array, false))
}
pub fn ones_like(&self) -> Result<Self> {
let ones = ArrayD::ones(self.data.raw_dim());
Ok(Self::new(ones, false))
}
pub fn randint(low: i32, high: i32, shape: Vec<usize>, device: SciRS2Device) -> Result<Self> {
use scirs2_core::random::prelude::*;
let total_size = shape.iter().product();
let mut rng = thread_rng();
let data: Vec<f64> = (0..total_size)
.map(|_| rng.random_range(low..high) as f64)
.collect();
let array = ArrayD::from_shape_vec(IxDyn(&shape), data)
.map_err(|e| MLError::ComputationError(format!("Shape error: {}", e)))?;
Ok(Self::new(array, false))
}
pub fn quantum_observable(name: &str, num_qubits: usize) -> Result<Self> {
match name {
"pauli_z_all" => {
let size = 1 << num_qubits;
let mut data = ArrayD::zeros(IxDyn(&[size, size]));
for i in 0..size {
let parity = i.count_ones() % 2;
data[[i, i]] = if parity == 0 { 1.0 } else { -1.0 };
}
Ok(Self::new(data, false))
}
_ => Err(MLError::InvalidConfiguration(format!(
"Unknown observable: {}",
name
))),
}
}
}
pub mod integration {
use super::*;
pub fn from_ndarray<D: Dimension>(arr: Array<f64, D>) -> SciRS2Array {
SciRS2Array::from_array(arr)
}
pub fn to_ndarray<D: Dimension>(arr: &SciRS2Array) -> Result<Array<f64, D>> {
arr.data
.view()
.into_dimensionality::<D>()
.map(|v| v.to_owned())
.map_err(|e| MLError::ComputationError(format!("Dimension error: {}", e)))
}
pub fn create_optimizer(optimizer_type: &str, config: HashMap<String, f64>) -> SciRS2Optimizer {
let mut optimizer = SciRS2Optimizer::new(optimizer_type);
for (key, value) in config {
optimizer = optimizer.with_config(key, value);
}
optimizer
}
pub fn setup_distributed(world_size: usize, rank: usize) -> SciRS2DistributedTrainer {
SciRS2DistributedTrainer::new(world_size, rank)
}
}
#[cfg(test)]
mod tests {
use super::*;
use scirs2_core::ndarray::Array2;
#[test]
fn test_scirs2_array_creation() {
let arr = Array2::from_shape_vec((2, 2), vec![1.0, 2.0, 3.0, 4.0])
.expect("valid shape for 2x2 array");
let scirs2_arr = SciRS2Array::from_array(arr);
assert_eq!(scirs2_arr.data.shape(), &[2, 2]);
assert!(!scirs2_arr.requires_grad);
}
#[test]
fn test_scirs2_array_with_grad() {
let arr = Array2::from_shape_vec((2, 2), vec![1.0, 2.0, 3.0, 4.0])
.expect("valid shape for 2x2 array");
let scirs2_arr = SciRS2Array::with_grad(arr);
assert!(scirs2_arr.requires_grad);
assert!(scirs2_arr.grad.is_some());
}
#[test]
fn test_scirs2_matmul() {
let arr1 = Array2::from_shape_vec((2, 3), vec![1.0, 2.0, 3.0, 4.0, 5.0, 6.0])
.expect("valid shape for 2x3 array");
let arr2 = Array2::from_shape_vec((3, 2), vec![1.0, 2.0, 3.0, 4.0, 5.0, 6.0])
.expect("valid shape for 3x2 array");
let scirs2_arr1 = SciRS2Array::from_array(arr1);
let scirs2_arr2 = SciRS2Array::from_array(arr2);
let result = scirs2_arr1
.matmul(&scirs2_arr2)
.expect("matmul should succeed for compatible shapes");
assert_eq!(result.data.shape(), &[2, 2]);
}
#[test]
fn test_scirs2_optimizer() {
let mut optimizer = SciRS2Optimizer::new("adam")
.with_config("learning_rate", 0.001)
.with_config("beta1", 0.9);
let mut params = HashMap::new();
let param_arr = SciRS2Array::with_grad(Array1::from_vec(vec![1.0, 2.0, 3.0]));
params.insert("weight".to_string(), param_arr);
let result = optimizer.step(&mut params);
assert!(result.is_ok());
}
#[test]
fn test_integration_helpers() {
let arr = Array2::from_shape_vec((2, 2), vec![1.0, 2.0, 3.0, 4.0])
.expect("valid shape for 2x2 array");
let scirs2_arr = integration::from_ndarray(arr.clone());
let back_to_ndarray: Array2<f64> = integration::to_ndarray(&scirs2_arr)
.expect("conversion back to ndarray should succeed");
assert_eq!(arr, back_to_ndarray);
}
}