1use std::cell::{Ref, RefCell};
70use std::fmt::Debug;
71use std::marker::PhantomData;
72
73use num::Bounded;
74use num_traits::float::Float;
75#[cfg(feature = "serde")]
76use serde::{Deserialize, Serialize};
77
78use crate::api::{PredictorBorrow, SupervisedEstimatorBorrow};
79use crate::error::{Failed, FailedError};
80use crate::linalg::basic::arrays::{Array1, Array2, MutArray};
81use crate::numbers::basenum::Number;
82use crate::numbers::floatnum::FloatNumber;
83use crate::svm::Kernel;
84
85#[cfg_attr(feature = "serde", derive(Serialize, Deserialize))]
86#[derive(Debug)]
87pub struct SVRParameters<T: Number + FloatNumber + PartialOrd> {
89 pub eps: T,
91 pub c: T,
93 pub tol: T,
95 #[cfg_attr(
97 all(feature = "serde", target_arch = "wasm32"),
98 serde(skip_serializing, skip_deserializing)
99 )]
100 pub kernel: Option<Box<dyn Kernel>>,
101}
102
103#[cfg_attr(feature = "serde", derive(Serialize, Deserialize))]
104#[derive(Debug)]
105pub struct SVR<'a, T: Number + FloatNumber + PartialOrd, X: Array2<T>, Y: Array1<T>> {
107 instances: Option<Vec<Vec<f64>>>,
108 #[cfg_attr(feature = "serde", serde(skip_deserializing))]
109 parameters: Option<&'a SVRParameters<T>>,
110 w: Option<Vec<T>>,
111 b: T,
112 phantom: PhantomData<(X, Y)>,
113}
114
115#[cfg_attr(feature = "serde", derive(Serialize, Deserialize))]
116#[derive(Debug)]
117struct SupportVector<T> {
118 index: usize,
119 x: Vec<f64>,
120 alpha: [T; 2],
121 grad: [T; 2],
122 k: f64,
123}
124
125struct Optimizer<'a, T: Number + FloatNumber + PartialOrd> {
127 tol: T,
128 c: T,
129 parameters: Option<&'a SVRParameters<T>>,
130 svmin: usize,
131 svmax: usize,
132 gmin: T,
133 gmax: T,
134 gminindex: usize,
135 gmaxindex: usize,
136 tau: T,
137 sv: Vec<SupportVector<T>>,
138 max_iterations: usize,
140}
141
142struct Cache<T: Clone> {
143 data: Vec<RefCell<Option<Vec<T>>>>,
144}
145
146impl<T: Number + FloatNumber + PartialOrd> SVRParameters<T> {
147 pub fn with_eps(mut self, eps: T) -> Self {
149 self.eps = eps;
150 self
151 }
152 pub fn with_c(mut self, c: T) -> Self {
154 self.c = c;
155 self
156 }
157 pub fn with_tol(mut self, tol: T) -> Self {
159 self.tol = tol;
160 self
161 }
162 pub fn with_kernel<K: Kernel + 'static>(mut self, kernel: K) -> Self {
164 self.kernel = Some(Box::new(kernel));
165 self
166 }
167}
168
169impl<T: Number + FloatNumber + PartialOrd> Default for SVRParameters<T> {
170 fn default() -> Self {
171 SVRParameters {
172 eps: T::from_f64(0.1).unwrap(),
173 c: T::one(),
174 tol: T::from_f64(1e-3).unwrap(),
175 kernel: Option::None,
176 }
177 }
178}
179
180impl<'a, T: Number + FloatNumber + PartialOrd, X: Array2<T>, Y: Array1<T>>
181 SupervisedEstimatorBorrow<'a, X, Y, SVRParameters<T>> for SVR<'a, T, X, Y>
182{
183 fn new() -> Self {
184 Self {
185 instances: Option::None,
186 parameters: Option::None,
187 w: Option::None,
188 b: T::zero(),
189 phantom: PhantomData,
190 }
191 }
192 fn fit(x: &'a X, y: &'a Y, parameters: &'a SVRParameters<T>) -> Result<Self, Failed> {
193 SVR::fit(x, y, parameters)
194 }
195}
196
197impl<'a, T: Number + FloatNumber + PartialOrd, X: Array2<T>, Y: Array1<T>> PredictorBorrow<'a, X, T>
198 for SVR<'a, T, X, Y>
199{
200 fn predict(&self, x: &'a X) -> Result<Vec<T>, Failed> {
201 self.predict(x)
202 }
203}
204
205impl<'a, T: Number + FloatNumber + PartialOrd, X: Array2<T>, Y: Array1<T>> SVR<'a, T, X, Y> {
206 pub fn fit(
212 x: &'a X,
213 y: &'a Y,
214 parameters: &'a SVRParameters<T>,
215 ) -> Result<SVR<'a, T, X, Y>, Failed> {
216 let (n, _) = x.shape();
217
218 if n != y.shape() {
219 return Err(Failed::fit(
220 "Number of rows of X doesn\'t match number of rows of Y",
221 ));
222 }
223
224 if parameters.kernel.is_none() {
225 return Err(Failed::because(
226 FailedError::ParametersError,
227 "kernel should be defined at this point, please use `with_kernel()`",
228 ));
229 }
230
231 let optimizer: Optimizer<'a, T> = Optimizer::new(x, y, parameters);
232
233 let (support_vectors, weight, b) = optimizer.smo();
234
235 Ok(SVR {
236 instances: Some(support_vectors),
237 parameters: Some(parameters),
238 w: Some(weight),
239 b,
240 phantom: PhantomData,
241 })
242 }
243
244 pub fn predict(&self, x: &'a X) -> Result<Vec<T>, Failed> {
247 let (n, _) = x.shape();
248
249 let mut y_hat: Vec<T> = Vec::<T>::zeros(n);
250
251 let mut x_i = Vec::with_capacity(n);
252 for i in 0..n {
253 x_i.clear();
254 x_i.extend(x.get_row(i).iterator(0).copied());
255 y_hat.set(i, self.predict_for_row(&x_i));
256 }
257
258 Ok(y_hat)
259 }
260
261 pub(crate) fn predict_for_row(&self, x: &[T]) -> T {
262 let mut f = self.b;
263
264 let xi: Vec<_> = x.iter().map(|e| e.to_f64().unwrap()).collect();
265 for i in 0..self.instances.as_ref().unwrap().len() {
266 f += self.w.as_ref().unwrap()[i]
267 * T::from(
268 self.parameters
269 .as_ref()
270 .unwrap()
271 .kernel
272 .as_ref()
273 .unwrap()
274 .apply(&xi, &self.instances.as_ref().unwrap()[i])
275 .unwrap(),
276 )
277 .unwrap()
278 }
279
280 T::from(f).unwrap()
281 }
282}
283
284impl<'a, T: Number + FloatNumber + PartialOrd, X: Array2<T>, Y: Array1<T>> PartialEq
285 for SVR<'a, T, X, Y>
286{
287 fn eq(&self, other: &Self) -> bool {
288 if (self.b - other.b).abs() > T::epsilon() * T::two()
289 || self.w.as_ref().unwrap().len() != other.w.as_ref().unwrap().len()
290 || self.instances.as_ref().unwrap().len() != other.instances.as_ref().unwrap().len()
291 {
292 false
293 } else {
294 for i in 0..self.w.as_ref().unwrap().len() {
295 if (self.w.as_ref().unwrap()[i] - other.w.as_ref().unwrap()[i]).abs() > T::epsilon()
296 {
297 return false;
298 }
299 }
300 for i in 0..self.instances.as_ref().unwrap().len() {
301 if !self.instances.as_ref().unwrap()[i]
302 .approximate_eq(&other.instances.as_ref().unwrap()[i], f64::epsilon())
303 {
304 return false;
305 }
306 }
307 true
308 }
309 }
310}
311
312impl<T: Number + FloatNumber + PartialOrd> SupportVector<T> {
313 fn new(i: usize, x: Vec<f64>, y: T, eps: T, k: f64) -> SupportVector<T> {
314 SupportVector {
315 index: i,
316 x,
317 grad: [eps + y, eps - y],
318 k,
319 alpha: [T::zero(), T::zero()],
320 }
321 }
322}
323
324impl<'a, T: Number + FloatNumber + PartialOrd> Optimizer<'a, T> {
325 fn new<X: Array2<T>, Y: Array1<T>>(
326 x: &'a X,
327 y: &'a Y,
328 parameters: &'a SVRParameters<T>,
329 ) -> Optimizer<'a, T> {
330 let (n, _) = x.shape();
331
332 let mut support_vectors: Vec<SupportVector<T>> = Vec::with_capacity(n);
333
334 for i in 0..n {
336 let k = parameters
337 .kernel
338 .as_ref()
339 .unwrap()
340 .apply(
341 &Vec::from_iterator(x.iterator(0).map(|e| e.to_f64().unwrap()), n),
342 &Vec::from_iterator(x.iterator(0).map(|e| e.to_f64().unwrap()), n),
343 )
344 .unwrap();
345 support_vectors.push(SupportVector::<T>::new(
346 i,
347 Vec::from_iterator(x.get_row(i).iterator(0).map(|e| e.to_f64().unwrap()), n),
348 T::from(*y.get(i)).unwrap(),
349 parameters.eps,
350 k,
351 ));
352 }
353
354 Optimizer {
355 tol: parameters.tol,
356 c: parameters.c,
357 parameters: Some(parameters),
358 svmin: 0,
359 svmax: 0,
360 gmin: <T as Bounded>::max_value(),
361 gmax: <T as Bounded>::min_value(),
362 gminindex: 0,
363 gmaxindex: 0,
364 tau: T::from_f64(1e-12).unwrap(),
365 sv: support_vectors,
366 max_iterations: 49999,
367 }
368 }
369
370 fn find_min_max_gradient(&mut self) {
371 self.gmin = <T as Bounded>::max_value();
372 self.gmax = <T as Bounded>::min_value();
373
374 for i in 0..self.sv.len() {
375 let v = &self.sv[i];
376 let g = -v.grad[0];
377 let a = v.alpha[0];
378 if g < self.gmin && a > T::zero() {
379 self.gmin = g;
380 self.gminindex = 0;
381 self.svmin = i;
382 }
383 if g > self.gmax && a < self.c {
384 self.gmax = g;
385 self.gmaxindex = 0;
386 self.svmax = i;
387 }
388
389 let g = v.grad[1];
390 let a = v.alpha[1];
391 if g < self.gmin && a < self.c {
392 self.gmin = g;
393 self.gminindex = 1;
394 self.svmin = i;
395 }
396 if g > self.gmax && a > T::zero() {
397 self.gmax = g;
398 self.gmaxindex = 1;
399 self.svmax = i;
400 }
401 }
402 }
403
404 fn smo(mut self) -> (Vec<Vec<f64>>, Vec<T>, T) {
409 let cache: Cache<f64> = Cache::new(self.sv.len());
410 let mut n_iteration = 0usize;
411 self.find_min_max_gradient();
412
413 while self.gmax - self.gmin > self.tol {
414 if n_iteration > self.max_iterations {
415 break;
416 }
417 let v1 = self.svmax;
418 let i = self.gmaxindex;
419 let old_alpha_i = self.sv[v1].alpha[i];
420
421 let k1 = cache.get(self.sv[v1].index, || {
422 self.sv
423 .iter()
424 .map(|vi| {
425 self.parameters
426 .unwrap()
427 .kernel
428 .as_ref()
429 .unwrap()
430 .apply(&self.sv[v1].x, &vi.x)
431 .unwrap()
432 })
433 .collect()
434 });
435
436 let mut v2 = self.svmin;
437 let mut j = self.gminindex;
438 let mut old_alpha_j = self.sv[v2].alpha[j];
439
440 let mut best = T::zero();
441 let gi = if i == 0 {
442 -self.sv[v1].grad[0]
443 } else {
444 self.sv[v1].grad[1]
445 };
446 for jj in 0..self.sv.len() {
447 let v = &self.sv[jj];
448 let mut curv = self.sv[v1].k + v.k - 2f64 * k1[v.index];
449 if curv <= 0f64 {
450 curv = self.tau.to_f64().unwrap();
451 }
452
453 let mut gj = -v.grad[0];
454 if v.alpha[0] > T::zero() && gj < gi {
455 let gain = -((gi - gj) * (gi - gj)) / T::from(curv).unwrap();
456 if gain < best {
457 best = gain;
458 v2 = jj;
459 j = 0;
460 old_alpha_j = self.sv[v2].alpha[0];
461 }
462 }
463
464 gj = v.grad[1];
465 if v.alpha[1] < self.c && gj < gi {
466 let gain = -((gi - gj) * (gi - gj)) / T::from(curv).unwrap();
467 if gain < best {
468 best = gain;
469 v2 = jj;
470 j = 1;
471 old_alpha_j = self.sv[v2].alpha[1];
472 }
473 }
474 }
475
476 let k2 = cache.get(self.sv[v2].index, || {
477 self.sv
478 .iter()
479 .map(|vi| {
480 self.parameters
481 .unwrap()
482 .kernel
483 .as_ref()
484 .unwrap()
485 .apply(&self.sv[v2].x, &vi.x)
486 .unwrap()
487 })
488 .collect()
489 });
490
491 let mut curv = self.sv[v1].k + self.sv[v2].k - 2f64 * k1[self.sv[v2].index];
492 if curv <= 0f64 {
493 curv = self.tau.to_f64().unwrap();
494 }
495
496 if i != j {
497 let delta = (-self.sv[v1].grad[i] - self.sv[v2].grad[j]) / T::from(curv).unwrap();
498 let diff = self.sv[v1].alpha[i] - self.sv[v2].alpha[j];
499 self.sv[v1].alpha[i] += delta;
500 self.sv[v2].alpha[j] += delta;
501
502 if diff > T::zero() {
503 if self.sv[v2].alpha[j] < T::zero() {
504 self.sv[v2].alpha[j] = T::zero();
505 self.sv[v1].alpha[i] = diff;
506 }
507 } else if self.sv[v1].alpha[i] < T::zero() {
508 self.sv[v1].alpha[i] = T::zero();
509 self.sv[v2].alpha[j] = -diff;
510 }
511
512 if diff > T::zero() {
513 if self.sv[v1].alpha[i] > self.c {
514 self.sv[v1].alpha[i] = self.c;
515 self.sv[v2].alpha[j] = self.c - diff;
516 }
517 } else if self.sv[v2].alpha[j] > self.c {
518 self.sv[v2].alpha[j] = self.c;
519 self.sv[v1].alpha[i] = self.c + diff;
520 }
521 } else {
522 let delta = (self.sv[v1].grad[i] - self.sv[v2].grad[j]) / T::from(curv).unwrap();
523 let sum = self.sv[v1].alpha[i] + self.sv[v2].alpha[j];
524 self.sv[v1].alpha[i] -= delta;
525 self.sv[v2].alpha[j] += delta;
526
527 if sum > self.c {
528 if self.sv[v1].alpha[i] > self.c {
529 self.sv[v1].alpha[i] = self.c;
530 self.sv[v2].alpha[j] = sum - self.c;
531 }
532 } else if self.sv[v2].alpha[j] < T::zero() {
533 self.sv[v2].alpha[j] = T::zero();
534 self.sv[v1].alpha[i] = sum;
535 }
536
537 if sum > self.c {
538 if self.sv[v2].alpha[j] > self.c {
539 self.sv[v2].alpha[j] = self.c;
540 self.sv[v1].alpha[i] = sum - self.c;
541 }
542 } else if self.sv[v1].alpha[i] < T::zero() {
543 self.sv[v1].alpha[i] = T::zero();
544 self.sv[v2].alpha[j] = sum;
545 }
546 }
547
548 let delta_alpha_i = self.sv[v1].alpha[i] - old_alpha_i;
549 let delta_alpha_j = self.sv[v2].alpha[j] - old_alpha_j;
550
551 let si = T::two() * T::from_usize(i).unwrap() - T::one();
552 let sj = T::two() * T::from_usize(j).unwrap() - T::one();
553 for v in self.sv.iter_mut() {
554 v.grad[0] -= si * T::from(k1[v.index]).unwrap() * delta_alpha_i
555 + sj * T::from(k2[v.index]).unwrap() * delta_alpha_j;
556 v.grad[1] += si * T::from(k1[v.index]).unwrap() * delta_alpha_i
557 + sj * T::from(k2[v.index]).unwrap() * delta_alpha_j;
558 }
559
560 self.find_min_max_gradient();
561 n_iteration += 1;
562 }
563
564 let b = -(self.gmax + self.gmin) / T::two();
565
566 let mut support_vectors: Vec<Vec<f64>> = Vec::new();
567 let mut w: Vec<T> = Vec::new();
568
569 for v in self.sv {
570 if v.alpha[0] != v.alpha[1] {
571 support_vectors.push(v.x);
572 w.push(v.alpha[1] - v.alpha[0]);
573 }
574 }
575
576 (support_vectors, w, b)
577 }
578}
579
580impl<T: Clone> Cache<T> {
581 fn new(n: usize) -> Cache<T> {
582 Cache {
583 data: vec![RefCell::new(None); n],
584 }
585 }
586
587 fn get<F: Fn() -> Vec<T>>(&self, i: usize, or: F) -> Ref<'_, Vec<T>> {
588 if self.data[i].borrow().is_none() {
589 self.data[i].replace(Some(or()));
590 }
591 Ref::map(self.data[i].borrow(), |v| v.as_ref().unwrap())
592 }
593}
594
595#[cfg(test)]
596mod tests {
597 use super::*;
598 use crate::linalg::basic::matrix::DenseMatrix;
599 use crate::metrics::mean_squared_error;
600 use crate::svm::Kernels;
601
602 #[cfg_attr(
621 all(target_arch = "wasm32", not(target_os = "wasi")),
622 wasm_bindgen_test::wasm_bindgen_test
623 )]
624 #[test]
625 fn svr_fit_predict() {
626 let x = DenseMatrix::from_2d_array(&[
627 &[234.289, 235.6, 159.0, 107.608, 1947., 60.323],
628 &[259.426, 232.5, 145.6, 108.632, 1948., 61.122],
629 &[258.054, 368.2, 161.6, 109.773, 1949., 60.171],
630 &[284.599, 335.1, 165.0, 110.929, 1950., 61.187],
631 &[328.975, 209.9, 309.9, 112.075, 1951., 63.221],
632 &[346.999, 193.2, 359.4, 113.270, 1952., 63.639],
633 &[365.385, 187.0, 354.7, 115.094, 1953., 64.989],
634 &[363.112, 357.8, 335.0, 116.219, 1954., 63.761],
635 &[397.469, 290.4, 304.8, 117.388, 1955., 66.019],
636 &[419.180, 282.2, 285.7, 118.734, 1956., 67.857],
637 &[442.769, 293.6, 279.8, 120.445, 1957., 68.169],
638 &[444.546, 468.1, 263.7, 121.950, 1958., 66.513],
639 &[482.704, 381.3, 255.2, 123.366, 1959., 68.655],
640 &[502.601, 393.1, 251.4, 125.368, 1960., 69.564],
641 &[518.173, 480.6, 257.2, 127.852, 1961., 69.331],
642 &[554.894, 400.7, 282.7, 130.081, 1962., 70.551],
643 ])
644 .unwrap();
645
646 let y: Vec<f64> = vec![
647 83.0, 88.5, 88.2, 89.5, 96.2, 98.1, 99.0, 100.0, 101.2, 104.6, 108.4, 110.8, 112.6,
648 114.2, 115.7, 116.9,
649 ];
650
651 let knl = Kernels::linear();
652 let y_hat = SVR::fit(
653 &x,
654 &y,
655 &SVRParameters::default()
656 .with_eps(2.0)
657 .with_c(10.0)
658 .with_kernel(knl),
659 )
660 .and_then(|lr| lr.predict(&x))
661 .unwrap();
662
663 let t = mean_squared_error(&y_hat, &y);
664 println!("{t:?}");
665 assert!(t < 2.5);
666 }
667
668 #[cfg_attr(
669 all(target_arch = "wasm32", not(target_os = "wasi")),
670 wasm_bindgen_test::wasm_bindgen_test
671 )]
672 #[test]
673 #[cfg(all(feature = "serde", not(target_arch = "wasm32")))]
674 fn svr_serde() {
675 let x = DenseMatrix::from_2d_array(&[
676 &[234.289, 235.6, 159.0, 107.608, 1947., 60.323],
677 &[259.426, 232.5, 145.6, 108.632, 1948., 61.122],
678 &[258.054, 368.2, 161.6, 109.773, 1949., 60.171],
679 &[284.599, 335.1, 165.0, 110.929, 1950., 61.187],
680 &[328.975, 209.9, 309.9, 112.075, 1951., 63.221],
681 &[346.999, 193.2, 359.4, 113.270, 1952., 63.639],
682 &[365.385, 187.0, 354.7, 115.094, 1953., 64.989],
683 &[363.112, 357.8, 335.0, 116.219, 1954., 63.761],
684 &[397.469, 290.4, 304.8, 117.388, 1955., 66.019],
685 &[419.180, 282.2, 285.7, 118.734, 1956., 67.857],
686 &[442.769, 293.6, 279.8, 120.445, 1957., 68.169],
687 &[444.546, 468.1, 263.7, 121.950, 1958., 66.513],
688 &[482.704, 381.3, 255.2, 123.366, 1959., 68.655],
689 &[502.601, 393.1, 251.4, 125.368, 1960., 69.564],
690 &[518.173, 480.6, 257.2, 127.852, 1961., 69.331],
691 &[554.894, 400.7, 282.7, 130.081, 1962., 70.551],
692 ])
693 .unwrap();
694
695 let y: Vec<f64> = vec![
696 83.0, 88.5, 88.2, 89.5, 96.2, 98.1, 99.0, 100.0, 101.2, 104.6, 108.4, 110.8, 112.6,
697 114.2, 115.7, 116.9,
698 ];
699
700 let knl = Kernels::rbf().with_gamma(0.7);
701 let params = SVRParameters::default().with_kernel(knl);
702
703 let svr = SVR::fit(&x, &y, ¶ms).unwrap();
704
705 let deserialized_svr: SVR<f64, DenseMatrix<f64>, _> =
706 serde_json::from_str(&serde_json::to_string(&svr).unwrap()).unwrap();
707
708 assert_eq!(svr, deserialized_svr);
709 }
710}