Files
smartcore/src/algorithm/neighbour/cosinepair.rs
Lorenzo 63f86f7bc9 Add with_top_k to CosineSimilarity (#332)
* Implement cosine similarity and cosinepair
* formatting
* fix clippy
* Add top k CosinePair
* fix distance computation
* set min similarity for constant zeros
* bump version to 0.4.5
2025-10-09 17:27:54 +01:00

1069 lines
36 KiB
Rust

///
/// ### CosinePair: Data-structure for the dynamic closest-pair problem.
///
/// Reference:
/// Eppstein, David: Fast hierarchical clustering and other applications of
/// dynamic closest pairs. Journal of Experimental Algorithmics 5 (2000) 1.
///
/// Example:
/// ```
/// use smartcore::metrics::distance::PairwiseDistance;
/// use smartcore::linalg::basic::matrix::DenseMatrix;
/// use smartcore::algorithm::neighbour::cosinepair::CosinePair;
/// let x = DenseMatrix::<f64>::from_2d_array(&[
/// &[5.1, 3.5, 1.4, 0.2],
/// &[4.9, 3.0, 1.4, 0.2],
/// &[4.7, 3.2, 1.3, 0.2],
/// &[4.6, 3.1, 1.5, 0.2],
/// &[5.0, 3.6, 1.4, 0.2],
/// &[5.4, 3.9, 1.7, 0.4],
/// ]).unwrap();
/// let cosinepair = CosinePair::new(&x);
/// let closest_pair: PairwiseDistance<f64> = cosinepair.unwrap().closest_pair();
/// ```
/// <script src="https://polyfill.io/v3/polyfill.min.js?features=es6"></script>
/// <script id="MathJax-script" async src="https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js"></script>
use ordered_float::{FloatCore, OrderedFloat};
use std::cmp::Reverse;
use std::collections::{BinaryHeap, HashMap};
use num::Bounded;
use crate::error::{Failed, FailedError};
use crate::linalg::basic::arrays::{Array1, Array2};
use crate::metrics::distance::cosine::Cosine;
use crate::metrics::distance::{Distance, PairwiseDistance};
use crate::numbers::floatnum::FloatNumber;
use crate::numbers::realnum::RealNumber;
/// Parameters for CosinePair construction
#[derive(Debug, Clone)]
pub struct CosinePairParameters {
/// Maximum number of neighbors to consider per point (default: all points)
pub top_k: Option<usize>,
/// Whether to use approximate nearest neighbor search
pub approximate: bool,
}
#[allow(clippy::derivable_impls)]
impl Default for CosinePairParameters {
fn default() -> Self {
Self {
top_k: None,
approximate: false,
}
}
}
///
/// Inspired by Python implementation:
/// <https://github.com/carsonfarmer/fastpair/blob/b8b4d3000ab6f795a878936667eee1b557bf353d/fastpair/base.py>
/// MIT License (MIT) Copyright (c) 2016 Carson Farmer
///
/// affinity used is Cosine as it is the most used
///
#[derive(Debug, Clone)]
pub struct CosinePair<'a, T: RealNumber + FloatNumber, M: Array2<T>> {
/// initial matrix
pub samples: &'a M,
/// closest pair hashmap (connectivity matrix for closest pairs)
pub distances: HashMap<usize, PairwiseDistance<T>>,
/// conga line used to keep track of the closest pair
pub neighbours: Vec<usize>,
/// parameters used during construction
pub parameters: CosinePairParameters,
}
impl<'a, T: RealNumber + FloatNumber + FloatCore, M: Array2<T>> CosinePair<'a, T, M> {
/// Constructor with default parameters (backward compatibility)
pub fn new(m: &'a M) -> Result<Self, Failed> {
Self::with_parameters(m, CosinePairParameters::default())
}
/// Constructor with top-k limiting for faster performance
pub fn with_top_k(m: &'a M, top_k: usize) -> Result<Self, Failed> {
Self::with_parameters(
m,
CosinePairParameters {
top_k: Some(top_k),
approximate: false,
},
)
}
/// Constructor with full parameter control
pub fn with_parameters(m: &'a M, parameters: CosinePairParameters) -> Result<Self, Failed> {
if m.shape().0 < 2 {
return Err(Failed::because(
FailedError::FindFailed,
"min number of rows should be 2",
));
}
let mut init = Self {
samples: m,
distances: HashMap::with_capacity(m.shape().0),
neighbours: Vec::with_capacity(m.shape().0),
parameters,
};
init.init();
Ok(init)
}
/// Helper function to create ordered float wrapper
fn ordered_float(value: T) -> OrderedFloat<T> {
OrderedFloat(value)
}
/// Helper function to extract value from ordered float wrapper
fn extract_float(ordered: OrderedFloat<T>) -> T {
ordered.into_inner()
}
/// Optimized initialization with top-k neighbor limiting
fn init(&mut self) {
let len = self.samples.shape().0;
let max_neighbors: usize = self.parameters.top_k.unwrap_or(len - 1).min(len - 1);
let mut distances = HashMap::with_capacity(len);
let mut neighbours = Vec::with_capacity(len);
neighbours.extend(0..len);
// Initialize with max distances
for i in 0..len {
distances.insert(
i,
PairwiseDistance {
node: i,
neighbour: None,
distance: Some(<T as Bounded>::max_value()),
},
);
}
// Compute distances for each point using top-k optimization
for i in 0..len {
let mut candidate_distances = BinaryHeap::new();
for j in 0..len {
if i != j {
let distance = T::from(Cosine::new().distance(
&Vec::from_iterator(
self.samples.get_row(i).iterator(0).copied(),
self.samples.shape().1,
),
&Vec::from_iterator(
self.samples.get_row(j).iterator(0).copied(),
self.samples.shape().1,
),
))
.unwrap();
// Use OrderedFloat for stable ordering
candidate_distances.push(Reverse((Self::ordered_float(distance), j)));
if candidate_distances.len() > max_neighbors {
candidate_distances.pop();
}
}
}
// Find the closest neighbor from candidates
if let Some(Reverse((closest_distance, closest_neighbor))) =
candidate_distances.iter().min_by_key(|Reverse((d, _))| *d)
{
distances.entry(i).and_modify(|e| {
e.distance = Some(Self::extract_float(*closest_distance));
e.neighbour = Some(*closest_neighbor);
});
}
}
self.distances = distances;
self.neighbours = neighbours;
}
/// Fast query using top-k pre-computed neighbors with ordered-float
pub fn query_row_top_k(
&self,
query_row_index: usize,
k: usize,
) -> Result<Vec<(T, usize)>, Failed> {
if query_row_index >= self.samples.shape().0 {
return Err(Failed::because(
FailedError::FindFailed,
"Query row index out of bounds",
));
}
if k == 0 {
return Ok(Vec::new());
}
let max_candidates = self.parameters.top_k.unwrap_or(self.samples.shape().0);
let actual_k: usize = k.min(max_candidates);
// Use binary heap with ordered-float for reliable ordering
let mut heap = BinaryHeap::with_capacity(actual_k + 1);
let candidates = if let Some(top_k) = self.parameters.top_k {
let step = (self.samples.shape().0 / top_k).max(1);
(0..self.samples.shape().0)
.step_by(step)
.filter(|&i| i != query_row_index)
.take(top_k)
.collect::<Vec<_>>()
} else {
(0..self.samples.shape().0)
.filter(|&i| i != query_row_index)
.collect::<Vec<_>>()
};
for &candidate_idx in &candidates {
let distance = T::from(Cosine::new().distance(
&Vec::from_iterator(
self.samples.get_row(query_row_index).iterator(0).copied(),
self.samples.shape().1,
),
&Vec::from_iterator(
self.samples.get_row(candidate_idx).iterator(0).copied(),
self.samples.shape().1,
),
))
.unwrap();
heap.push(Reverse((Self::ordered_float(distance), candidate_idx)));
if heap.len() > actual_k {
heap.pop();
}
}
// Convert heap to sorted vector
let mut neighbors: Vec<_> = heap
.into_vec()
.into_iter()
.map(|Reverse((dist, idx))| (Self::extract_float(dist), idx))
.collect();
neighbors.sort_by(|a, b| Self::ordered_float(a.0).cmp(&Self::ordered_float(b.0)));
Ok(neighbors)
}
/// Query k nearest neighbors for a row that's already in the dataset
pub fn query_row(&self, query_row_index: usize, k: usize) -> Result<Vec<(T, usize)>, Failed> {
if query_row_index >= self.samples.shape().0 {
return Err(Failed::because(
FailedError::FindFailed,
"Query row index out of bounds",
));
}
if k == 0 {
return Ok(Vec::new());
}
// Get distances to all other points
let mut distances = self.distances_from(query_row_index);
// Sort by distance (ascending)
distances.sort_by(|a, b| {
a.distance
.unwrap()
.partial_cmp(&b.distance.unwrap())
.unwrap_or(std::cmp::Ordering::Equal)
});
// Take top k neighbors and convert to (distance, index) format
let neighbors: Vec<(T, usize)> = distances
.into_iter()
.take(k)
.map(|pd| (pd.distance.unwrap(), pd.neighbour.unwrap()))
.collect();
Ok(neighbors)
}
/// Query k nearest neighbors for an external query vector
pub fn query(&self, query_vector: &Vec<T>, k: usize) -> Result<Vec<(T, usize)>, Failed> {
if query_vector.len() != self.samples.shape().1 {
return Err(Failed::because(
FailedError::FindFailed,
"Query vector dimension mismatch",
));
}
if k == 0 {
return Ok(Vec::new());
}
// Compute distances from query vector to all points in the dataset
let mut distances = Vec::<PairwiseDistance<T>>::with_capacity(self.samples.shape().0);
for i in 0..self.samples.shape().0 {
let dataset_point = Vec::from_iterator(
self.samples.get_row(i).iterator(0).copied(),
self.samples.shape().1,
);
let distance = T::from(Cosine::new().distance(query_vector, &dataset_point)).unwrap();
distances.push(PairwiseDistance {
node: i, // This represents the dataset point index
neighbour: Some(i),
distance: Some(distance),
});
}
// Sort by distance (ascending)
distances.sort_by(|a, b| {
a.distance
.unwrap()
.partial_cmp(&b.distance.unwrap())
.unwrap_or(std::cmp::Ordering::Equal)
});
// Take top k neighbors and convert to (distance, index) format
let neighbors: Vec<(T, usize)> = distances
.into_iter()
.take(k)
.map(|pd| (pd.distance.unwrap(), pd.node))
.collect();
Ok(neighbors)
}
/// Optimized version that reuses the existing distances_from method
/// This is more efficient for queries that are points already in the dataset
pub fn query_optimized(
&self,
query_row_index: usize,
k: usize,
) -> Result<Vec<(T, usize)>, Failed> {
// Reuse existing method and sort the results
self.query_row(query_row_index, k)
}
/// Find closest pair by scanning list of nearest neighbors.
#[allow(dead_code)]
pub fn closest_pair(&self) -> PairwiseDistance<T> {
let mut a = self.neighbours[0]; // Start with first point
let mut d = self.distances[&a].distance;
for p in self.neighbours.iter() {
if self.distances[p].distance < d {
a = *p; // Update `a` and distance `d`
d = self.distances[p].distance;
}
}
let b = self.distances[&a].neighbour;
PairwiseDistance {
node: a,
neighbour: b,
distance: d,
}
}
///
/// Return order dissimilarities from closest to furthest
///
#[allow(dead_code)]
pub fn ordered_pairs(&self) -> std::vec::IntoIter<&PairwiseDistance<T>> {
// improvement: implement this to return `impl Iterator<Item = &PairwiseDistance<T>>`
// need to implement trait `Iterator` for `Vec<&PairwiseDistance<T>>`
let mut distances = self
.distances
.values()
.collect::<Vec<&PairwiseDistance<T>>>();
distances.sort_by(|a, b| a.partial_cmp(b).unwrap());
distances.into_iter()
}
//
// Compute distances from input to all other points in data-structure.
// input is the row index of the sample matrix
//
#[allow(dead_code)]
fn distances_from(&self, index_row: usize) -> Vec<PairwiseDistance<T>> {
let mut distances = Vec::<PairwiseDistance<T>>::with_capacity(self.samples.shape().0);
for other in self.neighbours.iter() {
if index_row != *other {
distances.push(PairwiseDistance {
node: index_row,
neighbour: Some(*other),
distance: Some(
T::from(Cosine::new().distance(
&Vec::from_iterator(
self.samples.get_row(index_row).iterator(0).copied(),
self.samples.shape().1,
),
&Vec::from_iterator(
self.samples.get_row(*other).iterator(0).copied(),
self.samples.shape().1,
),
))
.unwrap(),
),
})
}
}
distances
}
}
#[cfg(test)]
mod tests {
use super::*;
use crate::linalg::basic::{arrays::Array, matrix::DenseMatrix};
use approx::{assert_relative_eq, relative_eq};
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_initialization() {
let x = DenseMatrix::<f64>::from_2d_array(&[
&[5.1, 3.5, 1.4, 0.2],
&[4.9, 3.0, 1.4, 0.2],
&[4.7, 3.2, 1.3, 0.2],
&[4.6, 3.1, 1.5, 0.2],
&[5.0, 3.6, 1.4, 0.2],
&[5.4, 3.9, 1.7, 0.4],
])
.unwrap();
let cosine_pair = CosinePair::new(&x);
assert!(cosine_pair.is_ok());
let cp = cosine_pair.unwrap();
assert_eq!(cp.samples.shape().0, 6);
assert_eq!(cp.distances.len(), 6);
assert_eq!(cp.neighbours.len(), 6);
assert!(!cp.distances.is_empty());
assert!(!cp.neighbours.is_empty());
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_minimum_rows_error() {
// Test with only one row - should fail
let x = DenseMatrix::<f64>::from_2d_array(&[&[5.1, 3.5, 1.4, 0.2]]).unwrap();
let result = CosinePair::new(&x);
assert!(result.is_err());
if let Err(e) = result {
let expected_error =
Failed::because(FailedError::FindFailed, "min number of rows should be 2");
assert_eq!(e, expected_error);
}
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_closest_pair() {
let x = DenseMatrix::<f64>::from_2d_array(&[
&[1.0, 0.0],
&[0.0, 1.0],
&[1.0, 1.0],
&[2.0, 2.0], // This should be closest to [1.0, 1.0] with cosine distance
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
let closest_pair = cosine_pair.closest_pair();
// Verify structure
assert!(closest_pair.distance.is_some());
assert!(closest_pair.neighbour.is_some());
// The closest pair should have the smallest cosine distance
let distance = closest_pair.distance.unwrap();
assert!(distance >= 0.0 && distance <= 2.0); // Cosine distance range
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_identical_vectors() {
let x = DenseMatrix::<f64>::from_2d_array(&[
&[1.0, 2.0, 3.0],
&[1.0, 2.0, 3.0], // Identical vector
&[4.0, 5.0, 6.0],
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
let closest_pair = cosine_pair.closest_pair();
// Distance between identical vectors should be 0
let distance = closest_pair.distance.unwrap();
assert!((distance - 0.0).abs() < 1e-8);
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_orthogonal_vectors() {
let x = DenseMatrix::<f64>::from_2d_array(&[
&[1.0, 0.0],
&[0.0, 1.0], // Orthogonal to first
&[2.0, 3.0],
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
// Check that orthogonal vectors have cosine distance of 1.0
let distances_from_first = cosine_pair.distances_from(0);
let orthogonal_distance = distances_from_first
.iter()
.find(|pd| pd.neighbour == Some(1))
.unwrap()
.distance
.unwrap();
assert!((orthogonal_distance - 1.0).abs() < 1e-8);
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_ordered_pairs() {
let x = DenseMatrix::<f64>::from_2d_array(&[
&[1.0, 2.0],
&[2.0, 1.0],
&[3.0, 4.0],
&[4.0, 3.0],
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
let ordered_pairs: Vec<_> = cosine_pair.ordered_pairs().collect();
assert_eq!(ordered_pairs.len(), 4);
// Check that pairs are ordered by distance (ascending)
for i in 1..ordered_pairs.len() {
let prev_distance = ordered_pairs[i - 1].distance.unwrap();
let curr_distance = ordered_pairs[i].distance.unwrap();
assert!(prev_distance <= curr_distance);
}
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_query_row() {
let x = DenseMatrix::<f64>::from_2d_array(&[
&[1.0, 0.0, 0.0],
&[0.0, 1.0, 0.0],
&[0.0, 0.0, 1.0],
&[1.0, 1.0, 0.0],
&[0.0, 1.0, 1.0],
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
// Query k=2 nearest neighbors for row 0
let neighbors = cosine_pair.query_row(0, 2).unwrap();
assert_eq!(neighbors.len(), 2);
// Check that distances are in ascending order
assert!(neighbors[0].0 <= neighbors[1].0);
// All distances should be valid cosine distances (0 to 2)
for (distance, _) in &neighbors {
assert!(*distance >= 0.0 && *distance <= 2.0);
}
}
#[test]
fn cosine_pair_query_row_bounds_error() {
let x = DenseMatrix::<f64>::from_2d_array(&[&[1.0, 2.0], &[3.0, 4.0]]).unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
// Query with out-of-bounds row index
let result = cosine_pair.query_row(5, 1);
assert!(result.is_err());
if let Err(e) = result {
let expected_error =
Failed::because(FailedError::FindFailed, "Query row index out of bounds");
assert_eq!(e, expected_error);
}
}
#[test]
fn cosine_pair_query_row_k_zero() {
let x =
DenseMatrix::<f64>::from_2d_array(&[&[1.0, 2.0], &[3.0, 4.0], &[5.0, 6.0]]).unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
let neighbors = cosine_pair.query_row(0, 0).unwrap();
assert_eq!(neighbors.len(), 0);
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_query_external_vector() {
let x = DenseMatrix::<f64>::from_2d_array(&[
&[1.0, 0.0, 0.0],
&[0.0, 1.0, 0.0],
&[0.0, 0.0, 1.0],
&[1.0, 1.0, 0.0],
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
// Query with external vector
let query_vector = vec![1.0, 0.5, 0.0];
let neighbors = cosine_pair.query(&query_vector, 2).unwrap();
assert_eq!(neighbors.len(), 2);
// Verify distances are valid and ordered
assert!(neighbors[0].0 <= neighbors[1].0);
for (distance, index) in &neighbors {
assert!(*distance >= 0.0 && *distance <= 2.0);
assert!(*index < x.shape().0);
}
}
#[test]
fn cosine_pair_query_dimension_mismatch() {
let x = DenseMatrix::<f64>::from_2d_array(&[&[1.0, 2.0, 3.0], &[4.0, 5.0, 6.0]]).unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
// Query with mismatched dimensions
let query_vector = vec![1.0, 2.0]; // Only 2 dimensions, but data has 3
let result = cosine_pair.query(&query_vector, 1);
assert!(result.is_err());
if let Err(e) = result {
let expected_error =
Failed::because(FailedError::FindFailed, "Query vector dimension mismatch");
assert_eq!(e, expected_error);
}
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_query_k_zero_external() {
let x = DenseMatrix::<f64>::from_2d_array(&[&[1.0, 2.0], &[3.0, 4.0]]).unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
let query_vector = vec![1.0, 1.0];
let neighbors = cosine_pair.query(&query_vector, 0).unwrap();
assert_eq!(neighbors.len(), 0);
}
#[test]
fn cosine_pair_large_dataset() {
// Test with larger dataset (similar to Iris)
let x = DenseMatrix::<f64>::from_2d_array(&[
&[5.1, 3.5, 1.4, 0.2],
&[4.9, 3.0, 1.4, 0.2],
&[4.7, 3.2, 1.3, 0.2],
&[4.6, 3.1, 1.5, 0.2],
&[5.0, 3.6, 1.4, 0.2],
&[5.4, 3.9, 1.7, 0.4],
&[4.6, 3.4, 1.4, 0.3],
&[5.0, 3.4, 1.5, 0.2],
&[4.4, 2.9, 1.4, 0.2],
&[4.9, 3.1, 1.5, 0.1],
&[7.0, 3.2, 4.7, 1.4],
&[6.4, 3.2, 4.5, 1.5],
&[6.9, 3.1, 4.9, 1.5],
&[5.5, 2.3, 4.0, 1.3],
&[6.5, 2.8, 4.6, 1.5],
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
assert_eq!(cosine_pair.samples.shape().0, 15);
assert_eq!(cosine_pair.distances.len(), 15);
assert_eq!(cosine_pair.neighbours.len(), 15);
// Test closest pair computation
let closest_pair = cosine_pair.closest_pair();
assert!(closest_pair.distance.is_some());
assert!(closest_pair.neighbour.is_some());
let distance = closest_pair.distance.unwrap();
assert!(distance >= 0.0 && distance <= 2.0);
}
#[test]
fn query_row_top_k_top_k_limiting() {
// Test that query_row_top_k respects top_k parameter and returns correct results
let x = DenseMatrix::<f64>::from_2d_array(&[
&[1.0, 0.0, 0.0], // Point 0
&[0.0, 1.0, 0.0], // Point 1 - orthogonal to point 0
&[0.0, 0.0, 1.0], // Point 2 - orthogonal to point 0
&[1.0, 1.0, 0.0], // Point 3 - closer to point 0 than points 1,2
&[0.5, 0.0, 0.0], // Point 4 - very close to point 0 (parallel)
&[2.0, 0.0, 0.0], // Point 5 - very close to point 0 (parallel)
&[0.0, 1.0, 1.0], // Point 6 - far from point 0
&[3.0, 3.0, 3.0], // Point 7 - moderately close to point 0
])
.unwrap();
// Create CosinePair with top_k=4 to limit candidates
let cosine_pair = CosinePair::with_top_k(&x, 4).unwrap();
// Query for 3 nearest neighbors to point 0
let neighbors = cosine_pair.query_row_top_k(0, 3).unwrap();
// Should return exactly 3 neighbors
assert_eq!(neighbors.len(), 3);
// Verify that distances are in ascending order
for i in 1..neighbors.len() {
assert!(
neighbors[i - 1].0 <= neighbors[i].0,
"Distances should be in ascending order: {} <= {}",
neighbors[i - 1].0,
neighbors[i].0
);
}
// All distances should be valid cosine distances (0 to 2)
for (distance, index) in &neighbors {
assert!(
*distance >= 0.0 && *distance <= 2.0,
"Cosine distance {} should be between 0 and 2",
distance
);
assert!(
*index < x.shape().0,
"Neighbor index {} should be less than dataset size {}",
index,
x.shape().0
);
assert!(
*index != 0,
"Neighbor index should not include query point itself"
);
}
// The closest neighbor should be either point 4 or 5 (parallel vectors)
// These should have cosine distance ≈ 0
let closest_distance = neighbors[0].0;
assert!(
closest_distance < 0.01,
"Closest parallel vector should have distance close to 0, got {}",
closest_distance
);
// Verify that we get different results with different top_k values
let cosine_pair_full = CosinePair::new(&x).unwrap();
let neighbors_full = cosine_pair_full.query_row(0, 3).unwrap();
// Results should be the same or very close since we're asking for top 3
// but the algorithm might find different candidates due to top_k limiting
assert_eq!(neighbors.len(), neighbors_full.len());
// The closest neighbor should be the same in both cases
let closest_idx_fast = neighbors[0].1;
let closest_idx_full = neighbors_full[0].1;
let closest_dist_fast = neighbors[0].0;
let closest_dist_full = neighbors_full[0].0;
// Either we get the same closest neighbor, or distances are very close
if closest_idx_fast == closest_idx_full {
assert!(relative_eq!(
closest_dist_fast,
closest_dist_full,
epsilon = 1e-10
));
} else {
// Different neighbors, but distances should be very close (parallel vectors)
assert!(relative_eq!(
closest_dist_fast,
closest_dist_full,
epsilon = 1e-6
));
}
}
#[test]
fn query_row_top_k_performance_vs_accuracy() {
// Test that query_row_top_k provides reasonable performance/accuracy tradeoff
// and handles edge cases properly
let large_dataset = DenseMatrix::<f32>::from_2d_array(&[
&[1.0f32, 2.0, 3.0, 4.0], // Point 0 - query point
&[1.1f32, 2.1, 3.1, 4.1], // Point 1 - very close to 0
&[1.05f32, 2.05, 3.05, 4.05], // Point 2 - very close to 0
&[2.0f32, 4.0, 6.0, 8.0], // Point 3 - parallel to 0 (2x scaling)
&[0.5f32, 1.0, 1.5, 2.0], // Point 4 - parallel to 0 (0.5x scaling)
&[-1.0f32, -2.0, -3.0, -4.0], // Point 5 - opposite to 0
&[4.0f32, 3.0, 2.0, 1.0], // Point 6 - different direction
&[0.0f32, 0.0, 0.0, 0.1], // Point 7 - mostly orthogonal
&[10.0f32, 20.0, 30.0, 40.0], // Point 8 - parallel but far
&[1.0f32, 0.0, 0.0, 0.0], // Point 9 - partially similar
&[0.0f32, 2.0, 0.0, 0.0], // Point 10 - partially similar
&[0.0f32, 0.0, 3.0, 0.0], // Point 11 - partially similar
])
.unwrap();
// Test with aggressive top_k limiting (only consider 5 out of 11 other points)
let cosine_pair_limited = CosinePair::with_top_k(&large_dataset, 5).unwrap();
// Query for 4 nearest neighbors
let neighbors_limited = cosine_pair_limited.query_row_top_k(0, 4).unwrap();
// Should return exactly 4 neighbors
assert_eq!(neighbors_limited.len(), 4);
// Test error handling - out of bounds query
let result_oob = cosine_pair_limited.query_row_top_k(15, 2);
assert!(result_oob.is_err());
if let Err(e) = result_oob {
assert_eq!(
e,
Failed::because(FailedError::FindFailed, "Query row index out of bounds")
);
}
// Test k=0 case
let neighbors_zero = cosine_pair_limited.query_row_top_k(0, 0).unwrap();
assert_eq!(neighbors_zero.len(), 0);
// Test k > available candidates
let neighbors_large_k = cosine_pair_limited.query_row_top_k(0, 20).unwrap();
assert!(neighbors_large_k.len() <= 11); // At most 11 other points
// Verify ordering is correct
for i in 1..neighbors_limited.len() {
assert!(
neighbors_limited[i - 1].0 <= neighbors_limited[i].0,
"Distance ordering violation at position {}: {} > {}",
i,
neighbors_limited[i - 1].0,
neighbors_limited[i].0
);
}
// The closest neighbors should be the parallel vectors (points 1, 2, 3, 4)
// since they have the smallest cosine distances
let closest_distance = neighbors_limited[0].0;
assert!(
closest_distance < 0.1,
"Closest neighbor should be nearly parallel, distance: {}",
closest_distance
);
// Compare with full algorithm for accuracy assessment
let cosine_pair_full = CosinePair::new(&large_dataset).unwrap();
let neighbors_full = cosine_pair_full.query_row(0, 4).unwrap();
// The fast version might not find the exact same neighbors due to sampling,
// but the closest neighbor's distance should be very similar
let dist_diff = (neighbors_limited[0].0 - neighbors_full[0].0).abs();
assert!(
dist_diff < 0.01,
"Fast and full algorithms should give similar closest distances. Diff: {}",
dist_diff
);
// Verify that all returned indices are valid and unique
let mut indices: Vec<usize> = neighbors_limited.iter().map(|(_, idx)| *idx).collect();
indices.sort();
indices.dedup();
assert_eq!(
indices.len(),
neighbors_limited.len(),
"All neighbor indices should be unique"
);
for &idx in &indices {
assert!(
idx < large_dataset.shape().0,
"Neighbor index {} should be valid",
idx
);
assert!(idx != 0, "Neighbor should not include query point itself");
}
// Test with f32 precision to ensure type compatibility
for (distance, _) in &neighbors_limited {
assert!(!distance.is_nan(), "Distance should not be NaN");
assert!(distance.is_finite(), "Distance should be finite");
assert!(*distance >= 0.0, "Distance should be non-negative");
}
}
#[test]
fn cosine_pair_float_precision() {
// Test with f32 precision
let x = DenseMatrix::<f32>::from_2d_array(&[
&[1.0f32, 2.0, 3.0],
&[4.0f32, 5.0, 6.0],
&[7.0f32, 8.0, 9.0],
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
let closest_pair = cosine_pair.closest_pair();
assert!(closest_pair.distance.is_some());
let distance = closest_pair.distance.unwrap();
assert!(distance >= 0.0 && distance <= 2.0);
// Test querying
let neighbors = cosine_pair.query_row(0, 2).unwrap();
assert_eq!(neighbors.len(), 2);
assert_eq!(neighbors[0].1, 1);
assert_relative_eq!(neighbors[0].0, 0.025368154);
assert_eq!(neighbors[1].1, 2);
assert_relative_eq!(neighbors[1].0, 0.040588055);
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_distances_from() {
let x = DenseMatrix::<f64>::from_2d_array(&[
&[1.0, 0.0],
&[0.0, 1.0],
&[1.0, 1.0],
&[2.0, 0.0],
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
let distances = cosine_pair.distances_from(0);
// Should have 3 distances (excluding self)
assert_eq!(distances.len(), 3);
// All should be from node 0
for pd in &distances {
assert_eq!(pd.node, 0);
assert!(pd.neighbour.is_some());
assert!(pd.distance.is_some());
assert!(pd.neighbour.unwrap() != 0); // Should not include self
}
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn cosine_pair_consistency_check() {
// Verify that different query methods return consistent results
let x = DenseMatrix::<f64>::from_2d_array(&[
&[1.0, 2.0, 3.0],
&[4.0, 5.0, 6.0],
&[7.0, 8.0, 9.0],
&[2.0, 3.0, 4.0],
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
// Query row 0 using internal method
let neighbors_internal = cosine_pair.query_row(0, 2).unwrap();
// Query row 0 using optimized method (should be same)
let neighbors_optimized = cosine_pair.query_optimized(0, 2).unwrap();
assert_eq!(neighbors_internal.len(), neighbors_optimized.len());
for i in 0..neighbors_internal.len() {
let (dist1, idx1) = neighbors_internal[i];
let (dist2, idx2) = neighbors_optimized[i];
assert!((dist1 - dist2).abs() < 1e-10);
assert_eq!(idx1, idx2);
}
}
// Brute force algorithm for testing/comparison
fn closest_pair_brute_force(
cosine_pair: &CosinePair<'_, f64, DenseMatrix<f64>>,
) -> PairwiseDistance<f64> {
use itertools::Itertools;
let m = cosine_pair.samples.shape().0;
let mut closest_pair = PairwiseDistance {
node: 0,
neighbour: None,
distance: Some(f64::MAX),
};
for pair in (0..m).combinations(2) {
let d = Cosine::new().distance(
&Vec::from_iterator(
cosine_pair.samples.get_row(pair[0]).iterator(0).copied(),
cosine_pair.samples.shape().1,
),
&Vec::from_iterator(
cosine_pair.samples.get_row(pair[1]).iterator(0).copied(),
cosine_pair.samples.shape().1,
),
);
if d < closest_pair.distance.unwrap() {
closest_pair.node = pair[0];
closest_pair.neighbour = Some(pair[1]);
closest_pair.distance = Some(d);
}
}
closest_pair
}
#[test]
fn cosine_pair_vs_brute_force() {
let x = DenseMatrix::<f64>::from_2d_array(&[
&[1.0, 2.0, 3.0],
&[4.0, 5.0, 6.0],
&[7.0, 8.0, 9.0],
&[1.1, 2.1, 3.1], // Close to first point
])
.unwrap();
let cosine_pair = CosinePair::new(&x).unwrap();
let cp_result = cosine_pair.closest_pair();
let brute_result = closest_pair_brute_force(&cosine_pair);
// Results should be identical or very close
assert!((cp_result.distance.unwrap() - brute_result.distance.unwrap()).abs() < 1e-10);
}
}