[WIP] aann

Approximate all nearest-neighbor ("aann") search using neighborhood graphs. Implemented in Rust with Python bindings.

Based on the paper ALL NEAREST NEIGHBOUR CALCULATION BASED ON DELAUNAY GRAPHS, Soudani & Karami, 2018 (arXiv) (link).

Problem

Given two point clouds Q and P, for each point q in Q find its nearest neighbor p among the points in P.

Solution

Calculate Delaunay graphs for both point clouds.
Start with a random vertex q in Q and traverse P using an A* search to find its nearest neighbor p.
Move to a vertex adjacent to q and search P for its nearest neighbor using p as the start. Since we start the search where we have already established spatial proximity the A* search should finish quickly.
Rinse-repeat until we found nearest neighbors for all points in Q.

TODOs

generalize to N-dimensions (currently only 3D)
implement k-nearest neighbors (currently only 1)
use SIMD (singe instruction multiple data) for distance calculations
test various neighborhood graphs
see if we can immplement additional parameters (e.g. distance_upper_bound or maybe a distance_lower_bound if that's useful)
implement alternative distance metrics (currently only Euclidean)
benchmarks

Usage

import aann
import numpy as np

N = 10000
x = Delaunay(np.random.rand(N, 3))
y = Delaunay(np.random.rand(N, 3))

distances, indices = aann.all_nearest_neighbours(x, y)

Build

cd into directory
Activate virtual environment: source .venv/bin/activate
Run maturin build --release to build a wheel or use maturin develop to compile and install in development mode

SIMD

aann makes use of core::simd module which means:

You need to use the nightly build:

# Install and update nightly
rustup install nightly
rustup update nightly
# Make sure you are in project directory
cd aann
# Tell the project to use nightly
rustup override set nightly

By default, only the oldest SIMD extension ssse2 is enabled during compilation. It is very likely that your processor supports newer extensions such as avx2 or even avx512f. To check what's supported run:

$ cargo install cargo-simd-detect --force
$ cargo simd-detect
extension       width                   available       enabled
sse2            128-bit/16-bytes        true            true
avx2            256-bit/32-bytes        true            false
avx512f         512-bit/64-bytes        true            false

You can tell the compiler to use newer extensions by setting rust flags:

# To activate a specific extension
export RUSTFLAGS="-C target-feature=+avx2"

# Alternatively to activate all available extensions
export RUSTFLAGS="-C target-cpu=native"

Test

First make sure pytest and pandas are installed:

pip install pytest -U

Then run the test-suite like so:

pytest --verbose -s

Note that unless you compiled with maturin develop --release the timings will be much slower (up to 10x) than in a release build.

schlegelp / aann