allow for sparse predictions
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This commit is contained in:
@@ -1,6 +1,7 @@
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//! # K Nearest Neighbors Regressor
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//! # K Nearest Neighbors Regressor with Feature Sparsing
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//!
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//! Regressor that predicts estimated values as a function of k nearest neightbours.
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//! Now supports feature sparsing - the ability to consider only a subset of features during prediction.
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//!
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//! `KNNRegressor` relies on 2 backend algorithms to speedup KNN queries:
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//! * [`LinearSearch`](../../algorithm/neighbour/linear_search/index.html)
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@@ -29,6 +30,10 @@
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//!
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//! let knn = KNNRegressor::fit(&x, &y, Default::default()).unwrap();
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//! let y_hat = knn.predict(&x).unwrap();
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//!
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//! // Predict using only features at indices 0
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//! let feature_indices = vec![0];
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//! let y_hat_sparse = knn.predict_sparse(&x, &feature_indices).unwrap();
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//! ```
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//!
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//! variable `y_hat` will hold predicted value
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@@ -77,12 +82,13 @@ pub struct KNNRegressorParameters<T: Number, D: Distance<Vec<T>>> {
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pub struct KNNRegressor<TX: Number, TY: Number, X: Array2<TX>, Y: Array1<TY>, D: Distance<Vec<TX>>>
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{
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y: Option<Y>,
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x: Option<X>, // Store training data for sparse feature prediction
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knn_algorithm: Option<KNNAlgorithm<TX, D>>,
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distance: Option<D>, // Store distance function for sparse prediction
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weight: Option<KNNWeightFunction>,
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k: Option<usize>,
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_phantom_tx: PhantomData<TX>,
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_phantom_ty: PhantomData<TY>,
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_phantom_x: PhantomData<X>,
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}
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impl<TX: Number, TY: Number, X: Array2<TX>, Y: Array1<TY>, D: Distance<Vec<TX>>>
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@@ -92,12 +98,20 @@ impl<TX: Number, TY: Number, X: Array2<TX>, Y: Array1<TY>, D: Distance<Vec<TX>>>
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self.y.as_ref().unwrap()
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}
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fn x(&self) -> &X {
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self.x.as_ref().unwrap()
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}
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fn knn_algorithm(&self) -> &KNNAlgorithm<TX, D> {
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self.knn_algorithm
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.as_ref()
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.expect("Missing parameter: KNNAlgorithm")
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}
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fn distance(&self) -> &D {
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self.distance.as_ref().expect("Missing parameter: distance")
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}
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fn weight(&self) -> &KNNWeightFunction {
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self.weight.as_ref().expect("Missing parameter: weight")
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}
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@@ -176,12 +190,13 @@ impl<TX: Number, TY: Number, X: Array2<TX>, Y: Array1<TY>, D: Distance<Vec<TX>>>
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fn new() -> Self {
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Self {
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y: Option::None,
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x: Option::None,
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knn_algorithm: Option::None,
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distance: Option::None,
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weight: Option::None,
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k: Option::None,
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_phantom_tx: PhantomData,
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_phantom_ty: PhantomData,
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_phantom_x: PhantomData,
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}
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}
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@@ -231,16 +246,17 @@ impl<TX: Number, TY: Number, X: Array2<TX>, Y: Array1<TY>, D: Distance<Vec<TX>>>
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)));
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}
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let knn_algo = parameters.algorithm.fit(data, parameters.distance)?;
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let knn_algo = parameters.algorithm.fit(data, parameters.distance.clone())?;
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Ok(KNNRegressor {
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y: Some(y.clone()),
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x: Some(x.clone()),
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k: Some(parameters.k),
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knn_algorithm: Some(knn_algo),
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distance: Some(parameters.distance),
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weight: Some(parameters.weight),
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_phantom_tx: PhantomData,
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_phantom_ty: PhantomData,
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_phantom_x: PhantomData,
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})
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}
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@@ -262,6 +278,45 @@ impl<TX: Number, TY: Number, X: Array2<TX>, Y: Array1<TY>, D: Distance<Vec<TX>>>
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Ok(result)
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}
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/// Predict the target for the provided data using only specified features.
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/// * `x` - data of shape NxM where N is number of data points to estimate and M is number of features.
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/// * `feature_indices` - indices of features to consider (e.g., [0, 2, 4] to use only features at positions 0, 2, and 4)
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///
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/// Returns a vector of size N with estimates.
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pub fn predict_sparse(&self, x: &X, feature_indices: &[usize]) -> Result<Y, Failed> {
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let (n_samples, n_features) = x.shape();
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// Validate feature indices
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for &idx in feature_indices {
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if idx >= n_features {
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return Err(Failed::predict(&format!(
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"Feature index {} out of bounds (max: {})",
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idx,
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n_features - 1
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)));
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}
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}
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if feature_indices.is_empty() {
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return Err(Failed::predict(
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"feature_indices cannot be empty"
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));
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}
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let mut result = Y::zeros(n_samples);
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let mut row_vec = vec![TX::zero(); feature_indices.len()];
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for (i, row) in x.row_iter().enumerate() {
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// Extract only the specified features
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for (j, &feat_idx) in feature_indices.iter().enumerate() {
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row_vec[j] = *row.get(feat_idx);
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}
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result.set(i, self.predict_for_row_sparse(&row_vec, feature_indices)?);
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}
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Ok(result)
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}
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fn predict_for_row(&self, row: &Vec<TX>) -> Result<TY, Failed> {
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let search_result = self.knn_algorithm().find(row, self.k.unwrap())?;
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let mut result = TY::zero();
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@@ -277,6 +332,50 @@ impl<TX: Number, TY: Number, X: Array2<TX>, Y: Array1<TY>, D: Distance<Vec<TX>>>
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Ok(result)
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}
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fn predict_for_row_sparse(
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&self,
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row: &Vec<TX>,
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feature_indices: &[usize],
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) -> Result<TY, Failed> {
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let training_data = self.x();
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let (n_training_samples, _) = training_data.shape();
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let k = self.k.unwrap();
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// Manually compute distances using only specified features
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let mut distances: Vec<(usize, f64)> = Vec::with_capacity(n_training_samples);
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for i in 0..n_training_samples {
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let train_row = training_data.get_row(i);
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// Extract sparse features from training data
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let mut train_sparse = Vec::with_capacity(feature_indices.len());
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for &feat_idx in feature_indices {
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train_sparse.push(*train_row.get(feat_idx));
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}
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// Compute distance using only selected features
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let dist = self.distance().distance(row, &train_sparse);
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distances.push((i, dist));
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}
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// Sort by distance and take k nearest
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distances.sort_by(|a, b| a.1.partial_cmp(&b.1).unwrap_or(std::cmp::Ordering::Equal));
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let k_nearest: Vec<(usize, f64)> = distances.into_iter().take(k).collect();
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// Compute weighted prediction
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let mut result = TY::zero();
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let weights = self
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.weight()
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.calc_weights(k_nearest.iter().map(|v| v.1).collect());
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let w_sum: f64 = weights.iter().copied().sum();
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for (neighbor, w) in k_nearest.iter().zip(weights.iter()) {
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result += *self.y().get(neighbor.0) * TY::from_f64(*w / w_sum).unwrap();
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}
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Ok(result)
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}
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}
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#[cfg(test)]
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@@ -332,6 +431,91 @@ mod tests {
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}
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}
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#[cfg_attr(
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all(target_arch = "wasm32", not(target_os = "wasi")),
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wasm_bindgen_test::wasm_bindgen_test
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)]
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#[test]
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fn knn_predict_sparse() {
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// Training data with 3 features
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let x = DenseMatrix::from_2d_array(&[
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&[1., 2., 10.],
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&[3., 4., 20.],
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&[5., 6., 30.],
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&[7., 8., 40.],
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&[9., 10., 50.],
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])
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.unwrap();
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let y: Vec<f64> = vec![1., 2., 3., 4., 5.];
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let knn = KNNRegressor::fit(&x, &y, Default::default()).unwrap();
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// Test data
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let x_test = DenseMatrix::from_2d_array(&[
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&[1., 2., 999.], // Third feature is very different
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&[5., 6., 999.],
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])
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.unwrap();
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// Predict using only first two features (ignore the third)
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let feature_indices = vec![0, 1];
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let y_hat_sparse = knn.predict_sparse(&x_test, &feature_indices).unwrap();
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// Should get good predictions since we're ignoring the mismatched third feature
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assert_eq!(2, Vec::len(&y_hat_sparse));
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assert!((y_hat_sparse[0] - 2.0).abs() < 1.0); // Should be close to 1-2
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assert!((y_hat_sparse[1] - 3.0).abs() < 1.0); // Should be close to 3
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}
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#[cfg_attr(
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all(target_arch = "wasm32", not(target_os = "wasi")),
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wasm_bindgen_test::wasm_bindgen_test
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)]
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#[test]
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fn knn_predict_sparse_single_feature() {
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let x = DenseMatrix::from_2d_array(&[
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&[1., 100., 1000.],
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&[2., 200., 2000.],
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&[3., 300., 3000.],
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&[4., 400., 4000.],
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&[5., 500., 5000.],
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])
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.unwrap();
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let y: Vec<f64> = vec![1., 2., 3., 4., 5.];
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let knn = KNNRegressor::fit(&x, &y, Default::default()).unwrap();
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let x_test = DenseMatrix::from_2d_array(&[&[1.5, 999., 9999.]]).unwrap();
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// Use only first feature
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let y_hat = knn.predict_sparse(&x_test, &[0]).unwrap();
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// Should predict based on first feature only
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assert_eq!(1, Vec::len(&y_hat));
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assert!((y_hat[0] - 1.5).abs() < 1.0);
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}
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#[cfg_attr(
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all(target_arch = "wasm32", not(target_os = "wasi")),
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wasm_bindgen_test::wasm_bindgen_test
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)]
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#[test]
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fn knn_predict_sparse_invalid_indices() {
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let x = DenseMatrix::from_2d_array(&[&[1., 2.], &[3., 4.]]).unwrap();
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let y: Vec<f64> = vec![1., 2.];
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let knn = KNNRegressor::fit(&x, &y, Default::default()).unwrap();
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let x_test = DenseMatrix::from_2d_array(&[&[1., 2.]]).unwrap();
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// Index out of bounds
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let result = knn.predict_sparse(&x_test, &[5]);
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assert!(result.is_err());
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// Empty indices
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let result = knn.predict_sparse(&x_test, &[]);
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assert!(result.is_err());
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}
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#[cfg_attr(
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all(target_arch = "wasm32", not(target_os = "wasi")),
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wasm_bindgen_test::wasm_bindgen_test
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