scirs2-optimize 0.4.2

Optimization module for SciRS2 (scirs2-optimize)
Documentation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
//! ADMM — Alternating Direction Method of Multipliers
//!
//! ADMM solves separable convex problems of the form:
//!
//! ```text
//! min_x,z  f(x) + g(z)
//! s.t.     A·x + B·z = c
//! ```
//!
//! by iterating three simple steps:
//! ```text
//! x_{k+1} = argmin_x { f(x) + (ρ/2)‖Ax + Bz_k − c + u_k‖² }
//! z_{k+1} = argmin_z { g(z) + (ρ/2)‖Ax_{k+1} + Bz − c + u_k‖² }
//! u_{k+1} = u_k + Ax_{k+1} + Bz_{k+1} − c
//! ```
//!
//! # Provided Solvers
//! 1. `AdmmSolver` — generic interface with LASSO and consensus specialisations
//! 2. `solve_lasso` — LASSO: `min ½‖Ax−b‖² + λ‖x‖₁`
//! 3. `solve_consensus` — distributed consensus: `min Σᵢ fᵢ(x)`
//!
//! # References
//! - Boyd et al. (2011). "Distributed Optimization and Statistical Learning
//!   via the Alternating Direction Method of Multipliers". *Found. Trends ML*.

use crate::error::OptimizeError;
use crate::proximal::operators::prox_l1;

// ─── Generic ADMM Solver ─────────────────────────────────────────────────────

/// ADMM solver configuration.
#[derive(Debug, Clone)]
pub struct AdmmSolver {
    /// Augmented Lagrangian penalty parameter ρ
    pub rho: f64,
    /// Maximum number of iterations
    pub max_iter: usize,
    /// Absolute tolerance for residuals
    pub tol_abs: f64,
    /// Relative tolerance for residuals
    pub tol_rel: f64,
}

impl Default for AdmmSolver {
    fn default() -> Self {
        Self {
            rho: 1.0,
            max_iter: 1000,
            tol_abs: 1e-4,
            tol_rel: 1e-2,
        }
    }
}

impl AdmmSolver {
    /// Create a new ADMM solver.
    pub fn new(rho: f64, max_iter: usize, tol_abs: f64, tol_rel: f64) -> Self {
        Self {
            rho,
            max_iter,
            tol_abs,
            tol_rel,
        }
    }

    /// Solve LASSO: `min ½‖Ax − b‖² + λ‖x‖₁`.
    ///
    /// Uses the ADMM splitting `f(x) = ½‖Ax−b‖², g(z) = λ‖z‖₁, x=z`.
    ///
    /// # Arguments
    /// * `a` - Design matrix (m × n, row-major)
    /// * `b` - Response vector (length m)
    /// * `lambda` - Regularisation strength
    ///
    /// # Errors
    /// Returns `OptimizeError::ValueError` on dimension mismatch.
    pub fn solve_lasso(
        &self,
        a: &[Vec<f64>],
        b: &[f64],
        lambda: f64,
    ) -> Result<Vec<f64>, OptimizeError> {
        solve_lasso_admm(a, b, lambda, self.rho, self.max_iter, self.tol_abs, self.tol_rel)
    }

    /// Solve consensus problem: `min Σᵢ fᵢ(x)` via ADMM.
    ///
    /// Each agent minimises its local function `fᵢ` while being driven towards
    /// a global consensus variable `z`.
    ///
    /// # Arguments
    /// * `local_f` - Vector of local objective functions
    /// * `x0` - Initial point (shared by all agents)
    ///
    /// # Errors
    /// Returns `OptimizeError::ValueError` if `local_f` is empty.
    pub fn solve_consensus(
        &self,
        local_f: Vec<Box<dyn Fn(&[f64]) -> f64>>,
        x0: Vec<f64>,
    ) -> Result<Vec<f64>, OptimizeError> {
        solve_consensus_admm(local_f, x0, self.rho, self.max_iter, self.tol_abs)
    }
}

// ─── LASSO via ADMM ──────────────────────────────────────────────────────────

/// Solve LASSO `min ½‖Ax−b‖² + λ‖x‖₁` via ADMM.
///
/// The x-update uses the closed-form ridge solution:
/// `x = (AᵀA + ρI)⁻¹ (Aᵀb + ρ(z − u))`
///
/// solved via coordinate descent on the normal equations for efficiency.
pub fn solve_lasso(a: &[Vec<f64>], b: &[f64], lambda: f64) -> Result<Vec<f64>, OptimizeError> {
    let solver = AdmmSolver::default();
    solver.solve_lasso(a, b, lambda)
}

fn solve_lasso_admm(
    a: &[Vec<f64>],
    b: &[f64],
    lambda: f64,
    rho: f64,
    max_iter: usize,
    tol_abs: f64,
    tol_rel: f64,
) -> Result<Vec<f64>, OptimizeError> {
    let m = a.len();
    if m == 0 {
        return Err(OptimizeError::ValueError("Empty design matrix A".to_string()));
    }
    let n = a[0].len();
    if b.len() != m {
        return Err(OptimizeError::ValueError(format!(
            "A has {} rows but b has {} elements",
            m,
            b.len()
        )));
    }

    // Precompute AᵀA and Aᵀb
    let ata = mat_ata(a, n);
    let atb = mat_atv(a, b, n);

    // Precompute (AᵀA + ρI)
    let mut ata_rho = ata.clone();
    for i in 0..n {
        ata_rho[i * n + i] += rho;
    }

    // Factorise once (Cholesky)
    let chol = cholesky(&ata_rho, n)?;

    let mut x = vec![0.0; n];
    let mut z = vec![0.0; n];
    let mut u = vec![0.0; n]; // scaled dual variable

    for _iter in 0..max_iter {
        let x_prev = x.clone();

        // x-update: x = (AᵀA + ρI)⁻¹ (Aᵀb + ρ(z − u))
        let rhs: Vec<f64> = (0..n)
            .map(|i| atb[i] + rho * (z[i] - u[i]))
            .collect();
        x = chol_solve(&chol, &rhs, n)?;

        // z-update: z = prox_{(λ/ρ)‖·‖₁}(x + u)
        let xu: Vec<f64> = x.iter().zip(u.iter()).map(|(&xi, &ui)| xi + ui).collect();
        z = prox_l1(&xu, lambda / rho);

        // u-update: u = u + x − z
        for i in 0..n {
            u[i] += x[i] - z[i];
        }

        // Primal and dual residuals
        let primal_res: f64 = x.iter()
            .zip(z.iter())
            .map(|(&xi, &zi)| (xi - zi) * (xi - zi))
            .sum::<f64>()
            .sqrt();
        let dual_res: f64 = z.iter()
            .zip(x_prev.iter())
            .map(|(&zi, &xi)| rho * (zi - xi) * (zi - xi))
            .sum::<f64>()
            .sqrt();

        let norm_x: f64 = x.iter().map(|&xi| xi * xi).sum::<f64>().sqrt();
        let norm_z: f64 = z.iter().map(|&zi| zi * zi).sum::<f64>().sqrt();

        let eps_primal = (n as f64).sqrt() * tol_abs + tol_rel * norm_x.max(norm_z);
        let eps_dual = (n as f64).sqrt() * tol_abs + tol_rel * rho * u.iter().map(|&ui| ui * ui).sum::<f64>().sqrt();

        if primal_res < eps_primal && dual_res < eps_dual {
            return Ok(x);
        }
    }
    Ok(x)
}

// ─── Consensus ADMM ──────────────────────────────────────────────────────────

/// Solve consensus `min Σᵢ fᵢ(x)` via ADMM.
///
/// Each agent maintains its own local copy `xᵢ`; the consensus variable `z`
/// is the average. Local updates use gradient descent with fixed step size
/// derived from ρ.
pub fn solve_consensus(
    local_f: Vec<Box<dyn Fn(&[f64]) -> f64>>,
    x0: Vec<f64>,
) -> Result<Vec<f64>, OptimizeError> {
    let solver = AdmmSolver::default();
    solver.solve_consensus(local_f, x0)
}

fn solve_consensus_admm(
    local_f: Vec<Box<dyn Fn(&[f64]) -> f64>>,
    x0: Vec<f64>,
    rho: f64,
    max_iter: usize,
    tol: f64,
) -> Result<Vec<f64>, OptimizeError> {
    let num_agents = local_f.len();
    if num_agents == 0 {
        return Err(OptimizeError::ValueError("No local functions provided".to_string()));
    }
    let n = x0.len();

    // Each agent i has local copy x_i and dual variable u_i
    let mut xs: Vec<Vec<f64>> = vec![x0.clone(); num_agents];
    let mut z = x0.clone();
    let mut us: Vec<Vec<f64>> = vec![vec![0.0; n]; num_agents];

    let gd_steps = 20; // inner gradient descent iterations for x-update

    for _iter in 0..max_iter {
        let z_prev = z.clone();

        // x_i-update: argmin { f_i(x_i) + (ρ/2)‖x_i − z + u_i‖² }
        // Solved approximately with gradient descent
        for i in 0..num_agents {
            let lr_gd = 1.0 / (rho * 10.0); // conservative step
            for _step in 0..gd_steps {
                let g_approx = numerical_gradient_vec(&local_f[i], &xs[i]);
                for j in 0..n {
                    let aug_grad = g_approx[j] + rho * (xs[i][j] - z[j] + us[i][j]);
                    xs[i][j] -= lr_gd * aug_grad;
                }
            }
        }

        // z-update: z = (1/N) Σᵢ (x_i + u_i) — averaging
        for j in 0..n {
            z[j] = xs.iter().zip(us.iter()).map(|(x, u)| x[j] + u[j]).sum::<f64>()
                / num_agents as f64;
        }

        // u_i-update
        for i in 0..num_agents {
            for j in 0..n {
                us[i][j] += xs[i][j] - z[j];
            }
        }

        // Convergence: ‖z − z_prev‖
        let dz: f64 = z.iter()
            .zip(z_prev.iter())
            .map(|(&a, &b)| (a - b) * (a - b))
            .sum::<f64>()
            .sqrt();
        if dz < tol {
            return Ok(z);
        }
    }
    Ok(z)
}

/// Numerical gradient of a scalar function at `x`.
fn numerical_gradient_vec(f: &dyn Fn(&[f64]) -> f64, x: &[f64]) -> Vec<f64> {
    let h = 1e-6;
    let n = x.len();
    let mut grad = vec![0.0; n];
    let mut xp = x.to_vec();
    let f0 = f(x);
    for i in 0..n {
        xp[i] += h;
        grad[i] = (f(&xp) - f0) / h;
        xp[i] = x[i];
    }
    grad
}

// ─── Linear Algebra Helpers ──────────────────────────────────────────────────

/// Compute AᵀA as a flat n×n row-major matrix.
fn mat_ata(a: &[Vec<f64>], n: usize) -> Vec<f64> {
    let mut ata = vec![0.0; n * n];
    let m = a.len();
    for k in 0..m {
        for i in 0..n {
            for j in 0..n {
                ata[i * n + j] += a[k][i] * a[k][j];
            }
        }
    }
    ata
}

/// Compute Aᵀv for a vector v.
fn mat_atv(a: &[Vec<f64>], v: &[f64], n: usize) -> Vec<f64> {
    let mut atv = vec![0.0; n];
    for (row, &vi) in a.iter().zip(v.iter()) {
        for j in 0..n {
            atv[j] += row[j] * vi;
        }
    }
    atv
}

/// Cholesky factorisation of symmetric positive-definite n×n matrix (flat row-major).
/// Returns lower-triangular L as flat Vec<f64>.
fn cholesky(a: &[f64], n: usize) -> Result<Vec<f64>, OptimizeError> {
    let mut l = vec![0.0; n * n];
    for i in 0..n {
        for j in 0..=i {
            let mut s = a[i * n + j];
            for k in 0..j {
                s -= l[i * n + k] * l[j * n + k];
            }
            l[i * n + j] = if i == j {
                if s <= 0.0 {
                    return Err(OptimizeError::ComputationError(
                        "Cholesky: matrix not positive definite".to_string(),
                    ));
                }
                s.sqrt()
            } else {
                let ljj = l[j * n + j];
                if ljj.abs() < 1e-15 {
                    return Err(OptimizeError::ComputationError(
                        "Cholesky: near-zero diagonal".to_string(),
                    ));
                }
                s / ljj
            };
        }
    }
    Ok(l)
}

/// Solve L·Lᵀ·x = b using forward/backward substitution.
fn chol_solve(l: &[f64], b: &[f64], n: usize) -> Result<Vec<f64>, OptimizeError> {
    // Forward substitution: Ly = b
    let mut y = vec![0.0; n];
    for i in 0..n {
        let mut s = b[i];
        for j in 0..i {
            s -= l[i * n + j] * y[j];
        }
        let lii = l[i * n + i];
        if lii.abs() < 1e-15 {
            return Err(OptimizeError::ComputationError(
                "chol_solve: near-zero diagonal".to_string(),
            ));
        }
        y[i] = s / lii;
    }
    // Backward substitution: Lᵀx = y
    let mut x = vec![0.0; n];
    for i in (0..n).rev() {
        let mut s = y[i];
        for j in (i + 1)..n {
            s -= l[j * n + i] * x[j];
        }
        let lii = l[i * n + i];
        if lii.abs() < 1e-15 {
            return Err(OptimizeError::ComputationError(
                "chol_solve: near-zero diagonal".to_string(),
            ));
        }
        x[i] = s / lii;
    }
    Ok(x)
}

#[cfg(test)]
mod tests {
    use super::*;
    use approx::assert_abs_diff_eq;

    fn build_lasso_problem() -> (Vec<Vec<f64>>, Vec<f64>) {
        // Simple 3×2 system: A = [[1,0],[0,1],[1,1]], b = [1,1,2]
        let a = vec![vec![1.0, 0.0], vec![0.0, 1.0], vec![1.0, 1.0]];
        let b = vec![1.0, 1.0, 2.0];
        (a, b)
    }

    #[test]
    fn test_solve_lasso_basic() {
        let (a, b) = build_lasso_problem();
        let result = solve_lasso(&a, &b, 0.01).expect("LASSO failed");
        assert_eq!(result.len(), 2);
        // Both components should be close to 1 for low lambda
        for &xi in &result {
            assert!(xi > 0.0, "LASSO solution should be positive");
            assert!(xi < 2.0, "LASSO solution should be bounded");
        }
    }

    #[test]
    fn test_solve_lasso_high_lambda_zeroes() {
        // Very high lambda → all coefficients near 0
        let (a, b) = build_lasso_problem();
        let result = solve_lasso(&a, &b, 100.0).expect("LASSO failed");
        for &xi in &result {
            assert_abs_diff_eq!(xi, 0.0, epsilon = 0.1);
        }
    }

    #[test]
    fn test_admm_solver_lasso() {
        let solver = AdmmSolver::new(1.0, 500, 1e-4, 1e-2);
        let a = vec![vec![2.0, 0.0], vec![0.0, 3.0]];
        let b = vec![2.0, 3.0];
        let result = solver.solve_lasso(&a, &b, 0.01).expect("ADMM LASSO failed");
        // Solution should be close to [1, 1]
        assert_abs_diff_eq!(result[0], 1.0, epsilon = 0.1);
        assert_abs_diff_eq!(result[1], 1.0, epsilon = 0.1);
    }

    #[test]
    fn test_solve_consensus_sum_of_quadratics() {
        // Each agent has f_i(x) = ½‖x − aᵢ‖²
        // Global minimum = mean of {aᵢ}
        let centers = vec![vec![1.0, 1.0], vec![3.0, 3.0], vec![5.0, 5.0]];
        let local_f: Vec<Box<dyn Fn(&[f64]) -> f64>> = centers
            .iter()
            .map(|c| {
                let c = c.clone();
                let f: Box<dyn Fn(&[f64]) -> f64> =
                    Box::new(move |x: &[f64]| {
                        x.iter()
                            .zip(c.iter())
                            .map(|(&xi, &ci)| 0.5 * (xi - ci) * (xi - ci))
                            .sum()
                    });
                f
            })
            .collect();

        let x0 = vec![0.0, 0.0];
        let result = solve_consensus(local_f, x0).expect("consensus failed");

        // Should converge towards mean = [3, 3]
        for &xi in &result {
            assert!(xi > 1.0 && xi < 5.0, "consensus solution out of range: {}", xi);
        }
    }

    #[test]
    fn test_admm_empty_local_f() {
        let result = solve_consensus(vec![], vec![1.0]);
        assert!(result.is_err());
    }

    #[test]
    fn test_lasso_dimension_mismatch() {
        let a = vec![vec![1.0, 2.0]];
        let b = vec![1.0, 2.0]; // wrong length
        let result = solve_lasso(&a, &b, 0.1);
        assert!(result.is_err());
    }
}