feat(internal): add Cholesky factorization helper for SPD matrices

Hand-rolled `A = L · L^T` factorization plus forward/backward triangular
solves, used by the upcoming Bayesian Optimization implementation for
the GP posterior. Same f64 row-major Vec<Vec<f64>> interface as the
existing Jacobi eigen helper so we don't pull in nalgebra for one
algorithm.

Returns Err on non-positive-definite input (a small jitter is the
typical caller-side fix). Tested against the standard 2x2 case, the
3x3 known-result case, A·x = b round-trip, and the SPD-failure case.
This commit is contained in:
2026-05-05 09:51:12 -06:00
parent 60b17f58c9
commit 284f1143de
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//! Cholesky factorization (`A = L · L^T`) plus triangular solves for
//! symmetric positive-definite matrices.
//!
//! Used internally by Bayesian Optimization for the GP posterior. Hand-
//! rolled to avoid pulling in a linear-algebra dependency.
/// Factorize a symmetric positive-definite matrix `a` as `L · L^T`,
/// returning `L` (lower triangular). Returns `Err` if `a` is not SPD,
/// which the caller typically responds to by adding jitter to the
/// diagonal and retrying.
pub(crate) fn cholesky(a: &[Vec<f64>]) -> Result<Vec<Vec<f64>>, &'static str> {
let n = a.len();
if n == 0 {
return Ok(Vec::new());
}
debug_assert!(a.iter().all(|row| row.len() == n));
let mut l = vec![vec![0.0_f64; n]; n];
for i in 0..n {
for j in 0..=i {
let mut sum = a[i][j];
for k in 0..j {
sum -= l[i][k] * l[j][k];
}
if i == j {
if sum <= 0.0 {
return Err("matrix is not positive-definite");
}
l[i][j] = sum.sqrt();
} else {
if l[j][j].abs() < 1e-300 {
return Err("zero on diagonal during Cholesky");
}
l[i][j] = sum / l[j][j];
}
}
}
Ok(l)
}
/// Solve `L · y = b` (forward substitution) for lower-triangular `L`.
pub(crate) fn solve_lower(l: &[Vec<f64>], b: &[f64]) -> Vec<f64> {
let n = l.len();
let mut y = vec![0.0_f64; n];
for i in 0..n {
let mut sum = b[i];
for k in 0..i {
sum -= l[i][k] * y[k];
}
y[i] = sum / l[i][i];
}
y
}
/// Solve `L^T · x = y` (backward substitution) for lower-triangular `L`
/// (so `L^T` is upper-triangular).
pub(crate) fn solve_upper_transpose(l: &[Vec<f64>], y: &[f64]) -> Vec<f64> {
let n = l.len();
let mut x = vec![0.0_f64; n];
for i in (0..n).rev() {
let mut sum = y[i];
for k in (i + 1)..n {
sum -= l[k][i] * x[k];
}
x[i] = sum / l[i][i];
}
x
}
/// Solve `A · x = b` given the Cholesky factor `L` of `A`. One forward
/// substitution + one back substitution.
pub(crate) fn solve(l: &[Vec<f64>], b: &[f64]) -> Vec<f64> {
let y = solve_lower(l, b);
solve_upper_transpose(l, &y)
}
#[cfg(test)]
mod tests {
use super::*;
fn approx_eq(a: f64, b: f64, tol: f64) -> bool {
(a - b).abs() < tol
}
#[test]
fn two_by_two_spd_factors() {
// A = [[4, 2], [2, 5]] → L = [[2, 0], [1, 2]]
let a = vec![vec![4.0, 2.0], vec![2.0, 5.0]];
let l = cholesky(&a).unwrap();
assert!(approx_eq(l[0][0], 2.0, 1e-12));
assert!(approx_eq(l[1][0], 1.0, 1e-12));
assert!(approx_eq(l[1][1], 2.0, 1e-12));
// L · L^T should reconstruct A.
for i in 0..2 {
for j in 0..2 {
let mut s = 0.0;
for k in 0..2 {
s += l[i][k] * l[j][k];
}
assert!(approx_eq(s, a[i][j], 1e-12));
}
}
}
#[test]
fn three_by_three_solve_round_trip() {
// SPD 3x3 with a known answer.
let a = vec![
vec![25.0, 15.0, -5.0],
vec![15.0, 18.0, 0.0],
vec![-5.0, 0.0, 11.0],
];
let l = cholesky(&a).unwrap();
// Choose a vector and check A · x = b round trip.
let x_truth = vec![1.0, -2.0, 0.5];
let b: Vec<f64> = (0..3)
.map(|i| (0..3).map(|j| a[i][j] * x_truth[j]).sum())
.collect();
let x = solve(&l, &b);
for k in 0..3 {
assert!(approx_eq(x[k], x_truth[k], 1e-9));
}
}
#[test]
fn non_psd_returns_err() {
// [[1, 2], [2, 1]] has eigenvalues 3 and -1 → not PD.
let a = vec![vec![1.0, 2.0], vec![2.0, 1.0]];
assert!(cholesky(&a).is_err());
}
#[test]
fn empty_matrix() {
let a: Vec<Vec<f64>> = Vec::new();
let l = cholesky(&a).unwrap();
assert_eq!(l.len(), 0);
}
}
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//! Internal helpers used by built-in algorithms but not part of the public API.
pub(crate) mod cholesky;
pub(crate) mod eigen;