//! NSGA-III — Deb & Jain 2014, the canonical many-objective MOEA. use rand::Rng as _; use rand::seq::IndexedRandom; use crate::algorithms::parallel_eval::evaluate_batch; use crate::core::candidate::Candidate; use crate::core::objective::ObjectiveSpace; use crate::core::population::Population; use crate::core::problem::Problem; use crate::core::result::OptimizationResult; use crate::core::rng::{Rng, rng_from_seed}; use crate::pareto::front::{best_candidate, pareto_front}; use crate::pareto::reference_points::das_dennis; use crate::pareto::sort::non_dominated_sort; use crate::traits::{Initializer, Optimizer, Variation}; /// Configuration for [`Nsga3`]. #[derive(Debug, Clone)] pub struct Nsga3Config { /// Constant population size carried across generations. pub population_size: usize, /// Number of generations to run. pub generations: usize, /// Number of divisions `H` for Das–Dennis reference points. /// Final reference set has `binomial(H + M - 1, M - 1)` points for /// `M = objectives`. Typical: `H = 12` for `M = 3` (91 points), /// `H = 6` for `M = 5` (210 points). pub reference_divisions: usize, /// Seed for the deterministic RNG. pub seed: u64, } impl Default for Nsga3Config { fn default() -> Self { Self { population_size: 100, generations: 250, reference_divisions: 12, seed: 42, } } } /// NSGA-III optimizer. /// /// NSGA-II's many-objective successor: replaces crowding distance with /// reference-point niching over Das–Dennis points in the normalized /// objective space. The canonical default for 4+ objectives. /// /// # Example /// /// ``` /// use heuropt::prelude::*; /// /// struct Schaffer; /// impl Problem for Schaffer { /// type Decision = Vec; /// fn objectives(&self) -> ObjectiveSpace { /// ObjectiveSpace::new(vec![Objective::minimize("f1"), Objective::minimize("f2")]) /// } /// fn evaluate(&self, x: &Vec) -> Evaluation { /// Evaluation::new(vec![x[0] * x[0], (x[0] - 2.0).powi(2)]) /// } /// } /// /// let bounds = vec![(-5.0_f64, 5.0_f64)]; /// let mut opt = Nsga3::new( /// Nsga3Config { /// population_size: 30, /// generations: 20, /// reference_divisions: 12, /// seed: 42, /// }, /// RealBounds::new(bounds.clone()), /// CompositeVariation { /// crossover: SimulatedBinaryCrossover::new(bounds.clone(), 15.0, 0.5), /// mutation: PolynomialMutation::new(bounds, 20.0, 1.0), /// }, /// ); /// let r = opt.run(&Schaffer); /// assert!(!r.pareto_front.is_empty()); /// ``` #[derive(Debug, Clone)] pub struct Nsga3 { /// Algorithm configuration. pub config: Nsga3Config, /// Initial-decision sampler. pub initializer: I, /// Offspring-producing variation operator. pub variation: V, } impl Nsga3 { /// Construct an `Nsga3` optimizer. pub fn new(config: Nsga3Config, initializer: I, variation: V) -> Self { Self { config, initializer, variation, } } } impl Optimizer

for Nsga3 where P: Problem + Sync, P::Decision: Send, I: Initializer, V: Variation, { fn run(&mut self, problem: &P) -> OptimizationResult { assert!( self.config.population_size > 0, "Nsga3 population_size must be greater than 0", ); let n = self.config.population_size; let objectives = problem.objectives(); let m = objectives.len(); let reference_points = das_dennis(m, self.config.reference_divisions); assert!( !reference_points.is_empty(), "Nsga3 reference set is empty — check reference_divisions", ); let mut rng = rng_from_seed(self.config.seed); // Initial population. let initial_decisions = self.initializer.initialize(n, &mut rng); assert_eq!( initial_decisions.len(), n, "NSGA-III initializer must return exactly population_size decisions", ); let mut population: Vec> = evaluate_batch(problem, initial_decisions); let mut evaluations = population.len(); for _ in 0..self.config.generations { // --- Random parent selection + variation --- let mut offspring_decisions: Vec = Vec::with_capacity(n); while offspring_decisions.len() < n { let p1 = rng.random_range(0..population.len()); let p2 = rng.random_range(0..population.len()); let parents = vec![ population[p1].decision.clone(), population[p2].decision.clone(), ]; let children = self.variation.vary(&parents, &mut rng); assert!( !children.is_empty(), "NSGA-III variation returned no children", ); for child_decision in children { if offspring_decisions.len() >= n { break; } offspring_decisions.push(child_decision); } } let offspring = evaluate_batch(problem, offspring_decisions); evaluations += offspring.len(); // --- Combine + survival selection --- let mut combined: Vec> = Vec::with_capacity(2 * n); combined.extend(population); combined.extend(offspring); population = environmental_selection(&combined, &objectives, &reference_points, n, &mut rng); } let front = pareto_front(&population, &objectives); let best = best_candidate(&population, &objectives); OptimizationResult::new( Population::new(population), front, best, evaluations, self.config.generations, ) } } #[cfg(feature = "async")] impl Nsga3 { /// Async version of [`Optimizer::run`] — drives evaluations through /// the user-chosen async runtime. Available only with the `async` /// feature. /// /// `concurrency` bounds in-flight evaluations per batch. pub async fn run_async

( &mut self, problem: &P, concurrency: usize, ) -> OptimizationResult where P: crate::core::async_problem::AsyncProblem, I: Initializer, V: Variation, { use crate::algorithms::parallel_eval_async::evaluate_batch_async; assert!( self.config.population_size > 0, "Nsga3 population_size must be greater than 0", ); let n = self.config.population_size; let objectives = problem.objectives(); let m = objectives.len(); let reference_points = das_dennis(m, self.config.reference_divisions); assert!( !reference_points.is_empty(), "Nsga3 reference set is empty — check reference_divisions", ); let mut rng = rng_from_seed(self.config.seed); let initial_decisions = self.initializer.initialize(n, &mut rng); assert_eq!( initial_decisions.len(), n, "NSGA-III initializer must return exactly population_size decisions", ); let mut population: Vec> = evaluate_batch_async(problem, initial_decisions, concurrency).await; let mut evaluations = population.len(); for _ in 0..self.config.generations { let mut offspring_decisions: Vec = Vec::with_capacity(n); while offspring_decisions.len() < n { let p1 = rng.random_range(0..population.len()); let p2 = rng.random_range(0..population.len()); let parents = vec![ population[p1].decision.clone(), population[p2].decision.clone(), ]; let children = self.variation.vary(&parents, &mut rng); assert!( !children.is_empty(), "NSGA-III variation returned no children", ); for child_decision in children { if offspring_decisions.len() >= n { break; } offspring_decisions.push(child_decision); } } let offspring = evaluate_batch_async(problem, offspring_decisions, concurrency).await; evaluations += offspring.len(); let mut combined: Vec> = Vec::with_capacity(2 * n); combined.extend(population); combined.extend(offspring); population = environmental_selection(&combined, &objectives, &reference_points, n, &mut rng); } let front = pareto_front(&population, &objectives); let best = best_candidate(&population, &objectives); OptimizationResult::new( Population::new(population), front, best, evaluations, self.config.generations, ) } } /// NSGA-III environmental selection: front-by-front + reference-point niching /// on the splitting front. fn environmental_selection( combined: &[Candidate], objectives: &ObjectiveSpace, reference_points: &[Vec], n: usize, rng: &mut Rng, ) -> Vec> { let fronts = non_dominated_sort(combined, objectives); let mut selected: Vec = Vec::with_capacity(n); let mut splitting: &[usize] = &[]; for front in &fronts { if selected.len() + front.len() <= n { selected.extend(front.iter().copied()); } else { splitting = front; break; } if selected.len() == n { break; } } if selected.len() == n { return selected.into_iter().map(|i| combined[i].clone()).collect(); } // The "working pool" is everything that might end up in the next pop: // already-selected plus the splitting front. Normalization and // association are computed on this pool only. let mut working: Vec = selected.clone(); working.extend(splitting.iter().copied()); let normalized = normalize(combined, &working, objectives); let m = objectives.len(); let (assoc, dist): (Vec, Vec) = associate(&normalized, reference_points, m); // Niche counts over already-selected members only. let mut niche_count = vec![0_usize; reference_points.len()]; for k in 0..selected.len() { niche_count[assoc[k]] += 1; } // Set of reference indices still available; we won't actually drop them // permanently — instead we track which references currently have any // candidate in F_l associated. let f_l_offset = selected.len(); let mut available_in_fl: Vec> = vec![Vec::new(); reference_points.len()]; for k in 0..splitting.len() { let working_idx = f_l_offset + k; available_in_fl[assoc[working_idx]].push(k); // store F_l-local index } while selected.len() < n { // Find min niche count among references with at least one F_l candidate. let mut min_count = usize::MAX; for j in 0..reference_points.len() { if !available_in_fl[j].is_empty() && niche_count[j] < min_count { min_count = niche_count[j]; } } if min_count == usize::MAX { // No more F_l candidates anywhere. Should not happen if we still // need members, but guard anyway. break; } let candidate_refs: Vec = (0..reference_points.len()) .filter(|&j| !available_in_fl[j].is_empty() && niche_count[j] == min_count) .collect(); let &chosen_ref = candidate_refs .choose(rng) .expect("non-empty by construction"); let pool = &available_in_fl[chosen_ref]; let pick_local = if niche_count[chosen_ref] == 0 { // Take the F_l member closest to the reference direction. *pool .iter() .min_by(|&&a, &&b| { let da = dist[f_l_offset + a]; let db = dist[f_l_offset + b]; da.partial_cmp(&db).unwrap_or(std::cmp::Ordering::Equal) }) .unwrap() } else { *pool.choose(rng).unwrap() }; let combined_idx = splitting[pick_local]; selected.push(combined_idx); niche_count[chosen_ref] += 1; // Remove pick_local from available_in_fl[chosen_ref]. let pos = available_in_fl[chosen_ref] .iter() .position(|&v| v == pick_local) .unwrap(); available_in_fl[chosen_ref].swap_remove(pos); } selected.into_iter().map(|i| combined[i].clone()).collect() } /// Translate by ideal, compute extreme points + intercepts, return per-member /// normalized objective vectors. Falls back to per-axis range when the /// extreme-point hyperplane is degenerate. fn normalize( combined: &[Candidate], working: &[usize], objectives: &ObjectiveSpace, ) -> Vec> { let m = objectives.len(); let mut oriented: Vec> = working .iter() .map(|&i| objectives.as_minimization(&combined[i].evaluation.objectives)) .collect(); // Ideal point z*: per-axis min over `working`. let mut ideal = vec![f64::INFINITY; m]; for o in &oriented { for (k, &v) in o.iter().enumerate() { if v < ideal[k] { ideal[k] = v; } } } // Translate. for o in oriented.iter_mut() { for (k, v) in o.iter_mut().enumerate() { *v -= ideal[k]; } } // Extreme points by Achievement Scalarizing Function: // ASF_k(x) = max_i(x[i] / w_k[i]), w_k[i] = 1 if i==k else 1e-6 let extremes: Vec = (0..m) .map(|axis| { let mut best = 0usize; let mut best_asf = f64::INFINITY; for (idx, o) in oriented.iter().enumerate() { let asf = o .iter() .enumerate() .map(|(k, &v)| { let w = if k == axis { 1.0 } else { 1e-6 }; v / w }) .fold(f64::NEG_INFINITY, f64::max); if asf < best_asf { best_asf = asf; best = idx; } } best }) .collect(); // Intercepts: solve A * a = 1 where rows of A are the extreme points. // If the system is singular or yields non-positive intercepts, fall back // to per-axis range (max value per axis in `oriented`). let intercepts = solve_intercepts(&oriented, &extremes).unwrap_or_else(|| { (0..m) .map(|k| { oriented .iter() .map(|o| o[k]) .fold(f64::NEG_INFINITY, f64::max) .max(1e-12) }) .collect() }); for o in oriented.iter_mut() { for (k, v) in o.iter_mut().enumerate() { *v /= intercepts[k].max(1e-12); } } oriented } /// Try to compute axis intercepts from M extreme points by Gaussian /// elimination. Returns `None` if singular or degenerate. fn solve_intercepts(oriented: &[Vec], extremes: &[usize]) -> Option> { let m = extremes.len(); if m == 0 { return None; } // Build the M×M matrix of extreme points (each row = one extreme). let mut a: Vec> = extremes.iter().map(|&i| oriented[i].clone()).collect(); let mut b: Vec = vec![1.0; m]; // Forward elimination with partial pivoting. #[allow(clippy::needless_range_loop)] // Body indexes both `a` and `b` by row. for k in 0..m { let mut pivot = k; for i in (k + 1)..m { if a[i][k].abs() > a[pivot][k].abs() { pivot = i; } } if a[pivot][k].abs() < 1e-12 { return None; } a.swap(k, pivot); b.swap(k, pivot); for i in (k + 1)..m { let factor = a[i][k] / a[k][k]; #[allow(clippy::needless_range_loop)] // Body indexes both `a[i]` and `a[k]`. for j in k..m { a[i][j] -= factor * a[k][j]; } b[i] -= factor * b[k]; } } // Back-substitution. let mut x = vec![0.0_f64; m]; for i in (0..m).rev() { let mut sum = b[i]; for j in (i + 1)..m { sum -= a[i][j] * x[j]; } if a[i][i].abs() < 1e-12 { return None; } x[i] = sum / a[i][i]; } // Intercept along axis k is 1 / x[k]. let intercepts: Vec = x .into_iter() .map(|v| if v.abs() < 1e-12 { f64::NAN } else { 1.0 / v }) .collect(); if intercepts.iter().any(|v| !v.is_finite() || *v <= 0.0) { return None; } Some(intercepts) } /// Associate each normalized point with the closest reference direction by /// perpendicular distance. Returns parallel `(ref_index, perp_dist)` vectors. fn associate( normalized: &[Vec], reference_points: &[Vec], _m: usize, ) -> (Vec, Vec) { let mut assoc = vec![0_usize; normalized.len()]; let mut dist = vec![0.0_f64; normalized.len()]; let ref_norms: Vec = reference_points .iter() .map(|r| r.iter().map(|v| v * v).sum::().sqrt().max(1e-12)) .collect(); for (i, x) in normalized.iter().enumerate() { let mut best = 0usize; let mut best_d = f64::INFINITY; for (j, r) in reference_points.iter().enumerate() { // Perpendicular distance from x to the line spanned by r: // t = (x · r) / ||r||² // d = ||x - t·r|| let dot: f64 = x.iter().zip(r.iter()).map(|(a, b)| a * b).sum(); let t = dot / (ref_norms[j] * ref_norms[j]); let mut sq = 0.0_f64; for (a, b) in x.iter().zip(r.iter()) { let proj = t * b; let diff = a - proj; sq += diff * diff; } let d = sq.sqrt(); if d < best_d { best_d = d; best = j; } } assoc[i] = best; dist[i] = best_d; } (assoc, dist) } impl crate::traits::AlgorithmInfo for Nsga3 { fn name(&self) -> &'static str { "NSGA-III" } fn full_name(&self) -> &'static str { "Non-dominated Sorting Genetic Algorithm III" } fn seed(&self) -> Option { Some(self.config.seed) } } #[cfg(test)] mod helper_tests { use super::*; #[test] fn solve_intercepts_axis_aligned_extremes() { // Extremes (2, 0) and (0, 3): the plane through them on the // canonical simplex has intercepts (2, 3). let oriented = vec![vec![2.0, 0.0], vec![0.0, 3.0]]; let intercepts = solve_intercepts(&oriented, &[0, 1]).expect("solvable"); assert!((intercepts[0] - 2.0).abs() < 1e-9, "got {:?}", intercepts); assert!((intercepts[1] - 3.0).abs() < 1e-9, "got {:?}", intercepts); } #[test] fn solve_intercepts_singular_matrix_returns_none() { // Two identical extremes → singular system → None. let oriented = vec![vec![1.0, 1.0], vec![1.0, 1.0]]; assert!(solve_intercepts(&oriented, &[0, 1]).is_none()); } #[test] fn solve_intercepts_empty_extremes_returns_none() { let oriented: Vec> = Vec::new(); assert!(solve_intercepts(&oriented, &[]).is_none()); } #[test] fn associate_picks_closest_reference_direction() { // Two reference directions: the x-axis and the y-axis. let refs = vec![vec![1.0, 0.0], vec![0.0, 1.0]]; // A point near the x-axis associates with reference 0; // a point near the y-axis associates with reference 1. let normalized = vec![vec![1.0, 0.05], vec![0.05, 1.0]]; let (assoc, dist) = associate(&normalized, &refs, 2); assert_eq!(assoc[0], 0); assert_eq!(assoc[1], 1); // Perpendicular distance from (1, 0.05) to the x-axis is 0.05. assert!((dist[0] - 0.05).abs() < 1e-9, "dist0 = {}", dist[0]); assert!((dist[1] - 0.05).abs() < 1e-9, "dist1 = {}", dist[1]); } #[test] fn associate_point_on_reference_line_has_zero_distance() { let refs = vec![vec![1.0, 0.0]]; // (3, 0) lies exactly on the x-axis direction → perp distance 0. let normalized = vec![vec![3.0, 0.0]]; let (assoc, dist) = associate(&normalized, &refs, 2); assert_eq!(assoc[0], 0); assert!(dist[0].abs() < 1e-9, "dist = {}", dist[0]); } } #[cfg(test)] mod tests { use super::*; use crate::operators::{ CompositeVariation, PolynomialMutation, RealBounds, SimulatedBinaryCrossover, }; use crate::tests_support::SchafferN1; fn make_optimizer( seed: u64, ) -> Nsga3> { let bounds = vec![(-5.0, 5.0)]; let initializer = RealBounds::new(bounds.clone()); let variation = CompositeVariation { crossover: SimulatedBinaryCrossover::new(bounds.clone(), 15.0, 0.5), mutation: PolynomialMutation::new(bounds, 20.0, 1.0), }; Nsga3::new( Nsga3Config { population_size: 20, generations: 8, reference_divisions: 12, seed, }, initializer, variation, ) } #[test] fn produces_pareto_front() { let mut opt = make_optimizer(1); let r = opt.run(&SchafferN1); assert_eq!(r.population.len(), 20); assert!(!r.pareto_front.is_empty()); assert_eq!(r.generations, 8); } #[test] fn deterministic_with_same_seed() { let mut a = make_optimizer(99); let mut b = make_optimizer(99); let ra = a.run(&SchafferN1); let rb = b.run(&SchafferN1); let oa: Vec> = ra .pareto_front .iter() .map(|c| c.evaluation.objectives.clone()) .collect(); let ob: Vec> = rb .pareto_front .iter() .map(|c| c.evaluation.objectives.clone()) .collect(); assert_eq!(oa, ob); } #[test] #[should_panic(expected = "population_size must be greater than 0")] fn zero_population_size_panics() { let bounds = vec![(0.0, 1.0)]; let initializer = RealBounds::new(bounds.clone()); let variation = CompositeVariation { crossover: SimulatedBinaryCrossover::new(bounds.clone(), 15.0, 0.5), mutation: PolynomialMutation::new(bounds, 20.0, 1.0), }; let mut opt = Nsga3::new( Nsga3Config { population_size: 0, generations: 1, reference_divisions: 4, seed: 0, }, initializer, variation, ); let _ = opt.run(&SchafferN1); } }