Files
smartcore/src/svm/svc.rs
Daniel Lacina 730c0d64df implemented multiclass for svc (#308)
* implemented multiclass for svc
* modified the multiclass svc so it doesnt modify the current api
2025-06-16 11:00:11 +01:00

1433 lines
50 KiB
Rust

//! # Support Vector Classifier.
//!
//! Support Vector Classifier (SVC) is a binary classifier that uses an optimal hyperplane to separate the points in the input variable space by their class.
//!
//! During training, SVC chooses a Maximal-Margin hyperplane that can separate all training instances with the largest margin.
//! The margin is calculated as the perpendicular distance from the boundary to only the closest points. Hence, only these points are relevant in defining
//! the hyperplane and in the construction of the classifier. These points are called the support vectors.
//!
//! While SVC selects a hyperplane with the largest margin it allows some points in the training data to violate the separating boundary.
//! The parameter `C` > 0 gives you control over how SVC will handle violating points. The bigger the value of this parameter the more we penalize the algorithm
//! for incorrectly classified points. In other words, setting this parameter to a small value will result in a classifier that allows for a big number
//! of misclassified samples. Mathematically, SVC optimization problem can be defined as:
//!
//! \\[\underset{w, \zeta}{minimize} \space \space \frac{1}{2} \lVert \vec{w} \rVert^2 + C\sum_{i=1}^m \zeta_i \\]
//!
//! subject to:
//!
//! \\[y_i(\langle\vec{w}, \vec{x}_i \rangle + b) \geq 1 - \zeta_i \\]
//! \\[\zeta_i \geq 0 for \space any \space i = 1, ... , m\\]
//!
//! Where \\( m \\) is a number of training samples, \\( y_i \\) is a label value (either 1 or -1) and \\(\langle\vec{w}, \vec{x}_i \rangle + b\\) is a decision boundary.
//!
//! To solve this optimization problem, `smartcore` uses an [approximate SVM solver](https://leon.bottou.org/projects/lasvm).
//! The optimizer reaches accuracies similar to that of a real SVM after performing two passes through the training examples. You can choose the number of passes
//! through the data that the algorithm takes by changing the `epoch` parameter of the classifier.
//!
//! Example:
//!
//! ```
//! use smartcore::linalg::basic::matrix::DenseMatrix;
//! use smartcore::svm::Kernels;
//! use smartcore::svm::svc::{SVC, SVCParameters};
//!
//! // Iris dataset
//! let x = DenseMatrix::from_2d_array(&[
//! &[5.1, 3.5, 1.4, 0.2],
//! &[4.9, 3.0, 1.4, 0.2],
//! &[4.7, 3.2, 1.3, 0.2],
//! &[4.6, 3.1, 1.5, 0.2],
//! &[5.0, 3.6, 1.4, 0.2],
//! &[5.4, 3.9, 1.7, 0.4],
//! &[4.6, 3.4, 1.4, 0.3],
//! &[5.0, 3.4, 1.5, 0.2],
//! &[4.4, 2.9, 1.4, 0.2],
//! &[4.9, 3.1, 1.5, 0.1],
//! &[7.0, 3.2, 4.7, 1.4],
//! &[6.4, 3.2, 4.5, 1.5],
//! &[6.9, 3.1, 4.9, 1.5],
//! &[5.5, 2.3, 4.0, 1.3],
//! &[6.5, 2.8, 4.6, 1.5],
//! &[5.7, 2.8, 4.5, 1.3],
//! &[6.3, 3.3, 4.7, 1.6],
//! &[4.9, 2.4, 3.3, 1.0],
//! &[6.6, 2.9, 4.6, 1.3],
//! &[5.2, 2.7, 3.9, 1.4],
//! ]).unwrap();
//! let y = vec![ -1, -1, -1, -1, -1, -1, -1, -1,
//! 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1];
//!
//! let knl = Kernels::linear();
//! let parameters = &SVCParameters::default().with_c(200.0).with_kernel(knl);
//! let svc = SVC::fit(&x, &y, parameters).unwrap();
//!
//! let y_hat = svc.predict(&x).unwrap();
//!
//! ```
//!
//! ## References:
//!
//! * ["Support Vector Machines", Kowalczyk A., 2017](https://www.svm-tutorial.com/2017/10/support-vector-machines-succinctly-released/)
//! * ["Fast Kernel Classifiers with Online and Active Learning", Bordes A., Ertekin S., Weston J., Bottou L., 2005](https://www.jmlr.org/papers/volume6/bordes05a/bordes05a.pdf)
//!
//! <script src="https://polyfill.io/v3/polyfill.min.js?features=es6"></script>
//! <script id="MathJax-script" async src="https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js"></script>
use std::collections::{HashMap, HashSet};
use std::fmt::Debug;
use std::marker::PhantomData;
use num::Bounded;
use rand::seq::SliceRandom;
#[cfg(feature = "serde")]
use serde::{Deserialize, Serialize};
use crate::api::{PredictorBorrow, SupervisedEstimatorBorrow};
use crate::error::{Failed, FailedError};
use crate::linalg::basic::arrays::{Array, Array1, Array2, MutArray};
use crate::numbers::basenum::Number;
use crate::numbers::realnum::RealNumber;
use crate::rand_custom::get_rng_impl;
use crate::svm::Kernel;
#[cfg_attr(feature = "serde", derive(Serialize, Deserialize))]
#[derive(Debug)]
/// Configuration for a multi-class Support Vector Machine (SVM) classifier.
/// This struct holds the indices of the data points relevant to a specific binary
/// classification problem within a multi-class context, and the two classes
/// being discriminated.
struct MultiClassConfig<TY: Number + Ord> {
/// The indices of the data points from the original dataset that belong to the two `classes`.
indices: Vec<usize>,
/// A tuple representing the two classes that this configuration is designed to distinguish.
classes: (TY, TY),
}
impl<'a, TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>>
SupervisedEstimatorBorrow<'a, X, Y, SVCParameters<TX, TY, X, Y>>
for MultiClassSVC<'a, TX, TY, X, Y>
{
/// Creates a new, empty `MultiClassSVC` instance.
fn new() -> Self {
Self {
classifiers: Option::None,
}
}
/// Fits the `MultiClassSVC` model to the provided data and parameters.
///
/// This method delegates the fitting process to the inherent `MultiClassSVC::fit` method.
///
/// # Arguments
/// * `x` - A reference to the input features (2D array).
/// * `y` - A reference to the target labels (1D array).
/// * `parameters` - A reference to the `SVCParameters` controlling the SVM training.
///
/// # Returns
/// A `Result` indicating success (`Self`) or failure (`Failed`).
fn fit(
x: &'a X,
y: &'a Y,
parameters: &'a SVCParameters<TX, TY, X, Y>,
) -> Result<Self, Failed> {
MultiClassSVC::fit(x, y, parameters)
}
}
impl<'a, TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>>
PredictorBorrow<'a, X, TX> for MultiClassSVC<'a, TX, TY, X, Y>
{
/// Predicts the class labels for new data points.
///
/// This method delegates the prediction process to the inherent `MultiClassSVC::predict` method.
///
/// # Arguments
/// * `x` - A reference to the input features (2D array) for which to make predictions.
///
/// # Returns
/// A `Result` containing a `Vec` of predicted class labels (`TX`) or a `Failed` error.
fn predict(&self, x: &'a X) -> Result<Vec<TX>, Failed> {
Ok(self.predict(x).unwrap())
}
}
/// A multi-class Support Vector Machine (SVM) classifier.
///
/// This struct implements a multi-class SVM using the "one-vs-one" strategy,
/// where a separate binary SVC classifier is trained for every pair of classes.
///
/// # Type Parameters
/// * `'a` - Lifetime parameter for borrowed data.
/// * `TX` - The numeric type of the input features (must implement `Number` and `RealNumber`).
/// * `TY` - The numeric type of the target labels (must implement `Number` and `Ord`).
/// * `X` - The type representing the 2D array of input features (e.g., a matrix).
/// * `Y` - The type representing the 1D array of target labels (e.g., a vector).
pub struct MultiClassSVC<
'a,
TX: Number + RealNumber,
TY: Number + Ord,
X: Array2<TX>,
Y: Array1<TY>,
> {
/// An optional vector of binary `SVC` classifiers.
classifiers: Option<Vec<SVC<'a, TX, TY, X, Y>>>,
}
impl<'a, TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>>
MultiClassSVC<'a, TX, TY, X, Y>
{
/// Fits the `MultiClassSVC` model to the provided data using a one-vs-one strategy.
///
/// This method identifies all unique classes in the target labels `y` and then
/// trains a binary `SVC` for every unique pair of classes. For each pair, it
/// extracts the relevant data points and their labels, and then trains a
/// specialized `SVC` for that binary classification task.
///
/// # Arguments
/// * `x` - A reference to the input features (2D array).
/// * `y` - A reference to the target labels (1D array).
/// * `parameters` - A reference to the `SVCParameters` controlling the SVM training for each individual binary classifier.
///
///
/// # Returns
/// A `Result` indicating success (`MultiClassSVC`) or failure (`Failed`).
pub fn fit(
x: &'a X,
y: &'a Y,
parameters: &'a SVCParameters<TX, TY, X, Y>,
) -> Result<MultiClassSVC<'a, TX, TY, X, Y>, Failed> {
let unique_classes = y.unique();
let mut classifiers = Vec::new();
// Iterate through all unique pairs of classes (one-vs-one strategy)
for i in 0..unique_classes.len() {
for j in i..unique_classes.len() {
if i == j {
continue;
}
let class0 = unique_classes[j];
let class1 = unique_classes[i];
let mut indices = Vec::new();
// Collect indices of data points belonging to the current pair of classes
for (index, v) in y.iterator(0).enumerate() {
if *v == class0 || *v == class1 {
indices.push(index)
}
}
let classes = (class0, class1);
let multiclass_config = MultiClassConfig { classes, indices };
// Fit a binary SVC for the current pair of classes
let svc = SVC::multiclass_fit(x, y, parameters, multiclass_config).unwrap();
classifiers.push(svc);
}
}
Ok(Self {
classifiers: Some(classifiers),
})
}
/// Predicts the class labels for new data points using the trained multi-class SVM.
///
/// This method uses a "voting" scheme (majority vote) among all the binary
/// classifiers to determine the final prediction for each data point.
///
/// # Arguments
/// * `x` - A reference to the input features (2D array) for which to make predictions.
///
/// # Returns
/// A `Result` containing a `Vec` of predicted class labels (`TX`) or a `Failed` error.
///
pub fn predict(&self, x: &X) -> Result<Vec<TX>, Failed> {
// Initialize a HashMap for each data point to store votes for each class
let mut polls = vec![HashMap::new(); x.shape().0];
// Retrieve the trained binary classifiers
let classifiers = self.classifiers.as_ref().unwrap();
// Iterate through each binary classifier
for i in 0..classifiers.len() {
let svc = classifiers.get(i).unwrap();
let predictions = svc.predict(x).unwrap(); // call SVC::predict for each binary classifier
// For each prediction from the current binary classifier
for (j, prediction) in predictions.iter().enumerate() {
let prediction = prediction.to_i32().unwrap();
let poll = polls.get_mut(j).unwrap(); // Get the poll for the current data point
// Increment the vote for the predicted class
if let Some(count) = poll.get_mut(&prediction) {
*count += 1
} else {
poll.insert(prediction, 1);
}
}
}
// Determine the final prediction for each data point based on majority vote
Ok(polls
.iter()
.map(|v| {
// Find the class with the maximum votes for each data point
TX::from(*v.iter().max_by_key(|(_, class)| *class).unwrap().0).unwrap()
})
.collect())
}
}
#[cfg_attr(feature = "serde", derive(Serialize, Deserialize))]
#[derive(Debug)]
/// SVC Parameters
pub struct SVCParameters<TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>> {
/// Number of epochs.
pub epoch: usize,
/// Regularization parameter.
pub c: TX,
/// Tolerance for stopping criterion.
pub tol: TX,
/// The kernel function.
#[cfg_attr(
all(feature = "serde", target_arch = "wasm32"),
serde(skip_serializing, skip_deserializing)
)]
pub kernel: Option<Box<dyn Kernel>>,
/// Unused parameter.
m: PhantomData<(X, Y, TY)>,
/// Controls the pseudo random number generation for shuffling the data for probability estimates
seed: Option<u64>,
}
#[cfg_attr(feature = "serde", derive(Serialize, Deserialize))]
#[derive(Debug)]
#[cfg_attr(
feature = "serde",
serde(bound(
serialize = "TX: Serialize, TY: Serialize, X: Serialize, Y: Serialize",
deserialize = "TX: Deserialize<'de>, TY: Deserialize<'de>, X: Deserialize<'de>, Y: Deserialize<'de>",
))
)]
/// Support Vector Classifier
pub struct SVC<'a, TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>> {
classes: Option<(TY, TY)>,
instances: Option<Vec<Vec<TX>>>,
#[cfg_attr(feature = "serde", serde(skip))]
parameters: Option<&'a SVCParameters<TX, TY, X, Y>>,
w: Option<Vec<TX>>,
b: Option<TX>,
phantomdata: PhantomData<(X, Y)>,
}
#[cfg_attr(feature = "serde", derive(Serialize, Deserialize))]
#[derive(Debug)]
struct SupportVector<TX: Number + RealNumber> {
index: usize,
x: Vec<TX>,
alpha: f64,
grad: f64,
cmin: f64,
cmax: f64,
k: f64,
}
struct Cache<TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>> {
data: HashMap<(usize, usize), f64>,
phantom: PhantomData<(X, Y, TY, TX)>,
}
struct Optimizer<'a, TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>> {
x: &'a X,
y: &'a Y,
indices: Option<Vec<usize>>,
parameters: &'a SVCParameters<TX, TY, X, Y>,
classes: &'a (TY, TY),
svmin: usize,
svmax: usize,
gmin: TX,
gmax: TX,
tau: TX,
sv: Vec<SupportVector<TX>>,
recalculate_minmax_grad: bool,
}
impl<TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>>
SVCParameters<TX, TY, X, Y>
{
/// Number of epochs.
pub fn with_epoch(mut self, epoch: usize) -> Self {
self.epoch = epoch;
self
}
/// Regularization parameter.
pub fn with_c(mut self, c: TX) -> Self {
self.c = c;
self
}
/// Tolerance for stopping criterion.
pub fn with_tol(mut self, tol: TX) -> Self {
self.tol = tol;
self
}
/// The kernel function.
pub fn with_kernel<K: Kernel + 'static>(mut self, kernel: K) -> Self {
self.kernel = Some(Box::new(kernel));
self
}
/// Seed for the pseudo random number generator.
pub fn with_seed(mut self, seed: Option<u64>) -> Self {
self.seed = seed;
self
}
}
impl<TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>> Default
for SVCParameters<TX, TY, X, Y>
{
fn default() -> Self {
SVCParameters {
epoch: 2,
c: TX::one(),
tol: TX::from_f64(1e-3).unwrap(),
kernel: Option::None,
m: PhantomData,
seed: Option::None,
}
}
}
impl<'a, TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>>
SupervisedEstimatorBorrow<'a, X, Y, SVCParameters<TX, TY, X, Y>> for SVC<'a, TX, TY, X, Y>
{
fn new() -> Self {
Self {
classes: Option::None,
instances: Option::None,
parameters: Option::None,
w: Option::None,
b: Option::None,
phantomdata: PhantomData,
}
}
fn fit(
x: &'a X,
y: &'a Y,
parameters: &'a SVCParameters<TX, TY, X, Y>,
) -> Result<Self, Failed> {
SVC::fit(x, y, parameters)
}
}
impl<'a, TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>>
PredictorBorrow<'a, X, TX> for SVC<'a, TX, TY, X, Y>
{
fn predict(&self, x: &'a X) -> Result<Vec<TX>, Failed> {
Ok(self.predict(x).unwrap())
}
}
impl<'a, TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX> + 'a, Y: Array1<TY> + 'a>
SVC<'a, TX, TY, X, Y>
{
/// Fits a binary Support Vector Classifier (SVC) to the provided data.
///
/// This is the primary `fit` method for a standalone binary SVC. It expects
/// the target labels `y` to contain exactly two unique classes. If more or
/// fewer than two classes are found, it returns an error. It then extracts
/// these two classes and proceeds to optimize and fit the SVC model.
///
/// # Arguments
/// * `x` - A reference to the input features (2D array) of the training data.
/// * `y` - A reference to the target labels (1D array) of the training data. `y` must contain exactly two unique class labels.
/// * `parameters` - A reference to the `SVCParameters` controlling the training process.
///
/// # Returns
/// A `Result` which is:
/// - `Ok(SVC<'a, TX, TY, X, Y>)`: A new, fitted binary SVC instance.
/// - `Err(Failed)`: If the number of unique classes in `y` is not exactly two, or if the underlying optimization fails.
pub fn fit(
x: &'a X,
y: &'a Y,
parameters: &'a SVCParameters<TX, TY, X, Y>,
) -> Result<SVC<'a, TX, TY, X, Y>, Failed> {
let classes = y.unique();
// Validate that there are exactly two unique classes in the target labels.
if classes.len() != 2 {
return Err(Failed::fit(&format!(
"Incorrect number of classes: {}. A binary SVC requires exactly two classes.",
classes.len()
)));
}
let classes = (classes[0], classes[1]);
let svc = Self::optimize_and_fit(x, y, parameters, classes, None);
svc
}
/// Fits a binary Support Vector Classifier (SVC) specifically for multi-class scenarios.
///
/// This function is intended to be called by a multi-class strategy (e.g., one-vs-one)
/// to train individual binary SVCs. It takes a `MultiClassConfig` which specifies
/// the two classes this SVC should discriminate and the subset of data indices
/// relevant to these classes. It then delegates the actual optimization and fitting
/// to `optimize_and_fit`.
///
/// # Arguments
/// * `x` - A reference to the input features (2D array) of the training data.
/// * `y` - A reference to the target labels (1D array) of the training data.
/// * `parameters` - A reference to the `SVCParameters` controlling the training process (e.g., kernel, C-value, tolerance).
/// * `multiclass_config` - A `MultiClassConfig` struct containing:
/// - `classes`: A tuple `(class0, class1)` specifying the two classes this SVC should distinguish.
/// - `indices`: A `Vec<usize>` containing the indices of the data points in `x` and `y that belong to either `class0` or `class1`.`
///
/// # Returns
/// A `Result` which is:
/// - `Ok(SVC<'a, TX, TY, X, Y>)`: A new, fitted binary SVC instance.
/// - `Err(Failed)`: If the fitting process encounters an error (e.g., invalid parameters).
fn multiclass_fit(
x: &'a X,
y: &'a Y,
parameters: &'a SVCParameters<TX, TY, X, Y>,
multiclass_config: MultiClassConfig<TY>,
) -> Result<SVC<'a, TX, TY, X, Y>, Failed> {
let classes = multiclass_config.classes;
let indices = multiclass_config.indices;
let svc = Self::optimize_and_fit(x, y, parameters, classes, Some(indices));
svc
}
/// Internal function to optimize and fit the Support Vector Classifier.
///
/// This is the core logic for training a binary SVC. It performs several checks
/// (e.g., kernel presence, data shape consistency) and then initializes an
/// `Optimizer` to find the support vectors, weights (`w`), and bias (`b`).
///
/// # Arguments
/// * `x` - A reference to the input features (2D array) of the training data.
/// * `y` - A reference to the target labels (1D array) of the training data.
/// * `parameters` - A reference to the `SVCParameters` defining the SVM model's configuration.
/// * `classes` - A tuple `(class0, class1)` representing the two distinct class labels that the SVC will learn to separate.
/// * `indices` - An `Option<Vec<usize>>`. If `Some`, it contains the specific indices of data points from `x` and `y` that should be used for training this binary classifier. If `None`, all data points in `x` and `y` are considered.
/// # Returns
/// A `Result` which is:
/// - `Ok(SVC<'a, TX, TY, X, Y>)`: A new `SVC` instance populated with the learned model components (support vectors, weights, bias).
/// - `Err(Failed)`: If any of the validation checks fail (e.g., missing kernel, mismatched data shapes), or if the optimization process fails.
fn optimize_and_fit(
x: &'a X,
y: &'a Y,
parameters: &'a SVCParameters<TX, TY, X, Y>,
classes: (TY, TY),
indices: Option<Vec<usize>>,
) -> Result<SVC<'a, TX, TY, X, Y>, Failed> {
let (n_samples, _) = x.shape();
// Validate that a kernel has been defined in the parameters.
if parameters.kernel.is_none() {
return Err(Failed::because(
FailedError::ParametersError,
"kernel should be defined at this point, please use `with_kernel()`",
));
}
// Validate that the number of samples in X matches the number of labels in Y.
if n_samples != y.shape() {
return Err(Failed::fit(
"Number of rows of X doesn't match number of rows of Y",
));
}
let optimizer: Optimizer<'_, TX, TY, X, Y> =
Optimizer::new(x, y, indices, parameters, &classes);
// Perform the optimization to find the support vectors, weight vector, and bias.
// This is where the core SVM algorithm (e.g., SMO) would run.
let (support_vectors, weight, b) = optimizer.optimize();
// Construct and return the fitted SVC model.
Ok(SVC::<'a> {
classes: Some(classes), // Store the two classes the SVC was trained on.
instances: Some(support_vectors), // Store the data points that are support vectors.
parameters: Some(parameters), // Reference to the parameters used for fitting.
w: Some(weight), // The learned weight vector (for linear kernels).
b: Some(b), // The learned bias term.
phantomdata: PhantomData, // Placeholder for type parameters not directly stored.
})
}
/// Predicts estimated class labels from `x`
/// * `x` - _KxM_ data where _K_ is number of observations and _M_ is number of features.
pub fn predict(&self, x: &'a X) -> Result<Vec<TX>, Failed> {
let mut y_hat: Vec<TX> = self.decision_function(x)?;
for i in 0..y_hat.len() {
let cls_idx = match *y_hat.get(i) > TX::zero() {
false => TX::from(self.classes.as_ref().unwrap().0).unwrap(),
true => TX::from(self.classes.as_ref().unwrap().1).unwrap(),
};
y_hat.set(i, cls_idx);
}
Ok(y_hat)
}
/// Evaluates the decision function for the rows in `x`
/// * `x` - _KxM_ data where _K_ is number of observations and _M_ is number of features.
pub fn decision_function(&self, x: &'a X) -> Result<Vec<TX>, Failed> {
let (n, _) = x.shape();
let mut y_hat: Vec<TX> = Array1::zeros(n);
let mut row = Vec::with_capacity(n);
for i in 0..n {
row.clear();
row.extend(x.get_row(i).iterator(0).copied());
let row_pred: TX = self.predict_for_row(&row);
y_hat.set(i, row_pred);
}
Ok(y_hat)
}
fn predict_for_row(&self, x: &[TX]) -> TX {
let mut f = self.b.unwrap();
let xi: Vec<_> = x.iter().map(|e| e.to_f64().unwrap()).collect();
for i in 0..self.instances.as_ref().unwrap().len() {
let xj: Vec<_> = self.instances.as_ref().unwrap()[i]
.iter()
.map(|e| e.to_f64().unwrap())
.collect();
f += self.w.as_ref().unwrap()[i]
* TX::from(
self.parameters
.as_ref()
.unwrap()
.kernel
.as_ref()
.unwrap()
.apply(&xi, &xj)
.unwrap(),
)
.unwrap();
}
f
}
}
impl<TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>> PartialEq
for SVC<'_, TX, TY, X, Y>
{
fn eq(&self, other: &Self) -> bool {
if (self.b.unwrap().sub(other.b.unwrap())).abs() > TX::epsilon() * TX::two()
|| self.w.as_ref().unwrap().len() != other.w.as_ref().unwrap().len()
|| self.instances.as_ref().unwrap().len() != other.instances.as_ref().unwrap().len()
{
false
} else {
if !self
.w
.as_ref()
.unwrap()
.approximate_eq(other.w.as_ref().unwrap(), TX::epsilon())
{
return false;
}
for i in 0..self.w.as_ref().unwrap().len() {
if (self.w.as_ref().unwrap()[i].sub(other.w.as_ref().unwrap()[i])).abs()
> TX::epsilon()
{
return false;
}
}
for i in 0..self.instances.as_ref().unwrap().len() {
if !(self.instances.as_ref().unwrap()[i] == other.instances.as_ref().unwrap()[i]) {
return false;
}
}
true
}
}
}
impl<TX: Number + RealNumber> SupportVector<TX> {
fn new(i: usize, x: Vec<TX>, y: TX, g: f64, c: f64, k_v: f64) -> SupportVector<TX> {
let (cmin, cmax) = if y > TX::zero() {
(0f64, c)
} else {
(-c, 0f64)
};
SupportVector {
index: i,
x,
grad: g,
k: k_v,
alpha: 0f64,
cmin,
cmax,
}
}
}
impl<TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>> Cache<TX, TY, X, Y> {
fn new() -> Cache<TX, TY, X, Y> {
Cache {
data: HashMap::new(),
phantom: PhantomData,
}
}
fn get(&mut self, i: &SupportVector<TX>, j: &SupportVector<TX>, or_insert: f64) -> f64 {
let idx_i = i.index;
let idx_j = j.index;
#[allow(clippy::or_fun_call)]
let entry = self.data.entry((idx_i, idx_j)).or_insert(or_insert);
*entry
}
fn insert(&mut self, key: (usize, usize), value: f64) {
self.data.insert(key, value);
}
fn drop(&mut self, idxs_to_drop: HashSet<usize>) {
self.data.retain(|k, _| !idxs_to_drop.contains(&k.0));
}
}
impl<'a, TX: Number + RealNumber, TY: Number + Ord, X: Array2<TX>, Y: Array1<TY>>
Optimizer<'a, TX, TY, X, Y>
{
fn new(
x: &'a X,
y: &'a Y,
indices: Option<Vec<usize>>,
parameters: &'a SVCParameters<TX, TY, X, Y>,
classes: &'a (TY, TY),
) -> Optimizer<'a, TX, TY, X, Y> {
let (n, _) = x.shape();
Optimizer {
x,
y,
indices,
parameters,
classes,
svmin: 0,
svmax: 0,
gmin: <TX as Bounded>::max_value(),
gmax: <TX as Bounded>::min_value(),
tau: TX::from_f64(1e-12).unwrap(),
sv: Vec::with_capacity(n),
recalculate_minmax_grad: true,
}
}
fn optimize(mut self) -> (Vec<Vec<TX>>, Vec<TX>, TX) {
let (n, _) = self.x.shape();
let mut cache: Cache<TX, TY, X, Y> = Cache::new();
self.initialize(&mut cache);
let tol = self.parameters.tol;
let good_enough = TX::from_i32(1000).unwrap();
let mut x = Vec::with_capacity(n);
for _ in 0..self.parameters.epoch {
for i in self.permutate(n) {
x.clear();
x.extend(self.x.get_row(i).iterator(0).take(n).copied());
let y = if *self.y.get(i) == self.classes.1 {
1
} else {
-1
} as f64;
self.process(i, &x, y, &mut cache);
loop {
self.reprocess(tol, &mut cache);
self.find_min_max_gradient();
if self.gmax - self.gmin < good_enough {
break;
}
}
}
}
self.finish(&mut cache);
let mut support_vectors: Vec<Vec<TX>> = Vec::new();
let mut w: Vec<TX> = Vec::new();
let b = (self.gmax + self.gmin) / TX::two();
for v in self.sv {
support_vectors.push(v.x);
w.push(TX::from(v.alpha).unwrap());
}
(support_vectors, w, b)
}
fn initialize(&mut self, cache: &mut Cache<TX, TY, X, Y>) {
let (n, _) = self.x.shape();
let few = 5;
let mut cp = 0;
let mut cn = 0;
let mut x = Vec::with_capacity(n);
for i in self.permutate(n) {
x.clear();
x.extend(self.x.get_row(i).iterator(0).take(n).copied());
let y = if *self.y.get(i) == self.classes.1 {
1
} else {
-1
} as f64;
if y == 1.0 && cp < few {
if self.process(i, &x, y, cache) {
cp += 1;
}
} else if y == -1.0 && cn < few && self.process(i, &x, y, cache) {
cn += 1;
}
if cp >= few && cn >= few {
break;
}
}
}
fn process(&mut self, i: usize, x: &[TX], y: f64, cache: &mut Cache<TX, TY, X, Y>) -> bool {
for j in 0..self.sv.len() {
if self.sv[j].index == i {
return true;
}
}
let mut g = y;
let mut cache_values: Vec<((usize, usize), TX)> = Vec::new();
for v in self.sv.iter() {
let xi: Vec<_> = v.x.iter().map(|e| e.to_f64().unwrap()).collect();
let xj: Vec<_> = x.iter().map(|e| e.to_f64().unwrap()).collect();
let k = self
.parameters
.kernel
.as_ref()
.unwrap()
.apply(&xi, &xj)
.unwrap();
cache_values.push(((i, v.index), TX::from(k).unwrap()));
g -= v.alpha * k;
}
self.find_min_max_gradient();
if self.gmin < self.gmax
&& ((y > 0.0 && g < self.gmin.to_f64().unwrap())
|| (y < 0.0 && g > self.gmax.to_f64().unwrap()))
{
return false;
}
for v in cache_values {
cache.insert(v.0, v.1.to_f64().unwrap());
}
let x_f64: Vec<_> = x.iter().map(|e| e.to_f64().unwrap()).collect();
let k_v = self
.parameters
.kernel
.as_ref()
.expect("Kernel should be defined at this point, use with_kernel() on parameters")
.apply(&x_f64, &x_f64)
.unwrap();
self.sv.insert(
0,
SupportVector::<TX>::new(
i,
x.to_vec(),
TX::from(y).unwrap(),
g,
self.parameters.c.to_f64().unwrap(),
k_v,
),
);
if y > 0.0 {
self.smo(None, Some(0), TX::zero(), cache);
} else {
self.smo(Some(0), None, TX::zero(), cache);
}
true
}
fn reprocess(&mut self, tol: TX, cache: &mut Cache<TX, TY, X, Y>) -> bool {
let status = self.smo(None, None, tol, cache);
self.clean(cache);
status
}
fn finish(&mut self, cache: &mut Cache<TX, TY, X, Y>) {
let mut max_iter = self.sv.len();
while self.smo(None, None, self.parameters.tol, cache) && max_iter > 0 {
max_iter -= 1;
}
self.clean(cache);
}
fn find_min_max_gradient(&mut self) {
if !self.recalculate_minmax_grad {
return;
}
self.gmin = <TX as Bounded>::max_value();
self.gmax = <TX as Bounded>::min_value();
for i in 0..self.sv.len() {
let v = &self.sv[i];
let g = v.grad;
let a = v.alpha;
if g < self.gmin.to_f64().unwrap() && a > v.cmin {
self.gmin = TX::from(g).unwrap();
self.svmin = i;
}
if g > self.gmax.to_f64().unwrap() && a < v.cmax {
self.gmax = TX::from(g).unwrap();
self.svmax = i;
}
}
self.recalculate_minmax_grad = false
}
fn clean(&mut self, cache: &mut Cache<TX, TY, X, Y>) {
self.find_min_max_gradient();
let gmax = self.gmax;
let gmin = self.gmin;
let mut idxs_to_drop: HashSet<usize> = HashSet::new();
self.sv.retain(|v| {
if v.alpha == 0f64
&& ((TX::from(v.grad).unwrap() >= gmax && TX::zero() >= TX::from(v.cmax).unwrap())
|| (TX::from(v.grad).unwrap() <= gmin
&& TX::zero() <= TX::from(v.cmin).unwrap()))
{
idxs_to_drop.insert(v.index);
return false;
};
true
});
cache.drop(idxs_to_drop);
self.recalculate_minmax_grad = true;
}
fn permutate(&self, n: usize) -> Vec<usize> {
let mut rng = get_rng_impl(self.parameters.seed);
let mut range = if let Some(indices) = self.indices.clone() {
indices
} else {
(0..n).collect::<Vec<usize>>()
};
range.shuffle(&mut rng);
range
}
fn select_pair(
&mut self,
idx_1: Option<usize>,
idx_2: Option<usize>,
cache: &mut Cache<TX, TY, X, Y>,
) -> Option<(usize, usize, f64)> {
match (idx_1, idx_2) {
(None, None) => {
if self.gmax > -self.gmin {
self.select_pair(None, Some(self.svmax), cache)
} else {
self.select_pair(Some(self.svmin), None, cache)
}
}
(Some(idx_1), None) => {
let sv1 = &self.sv[idx_1];
let mut idx_2 = None;
let mut k_v_12 = None;
let km = sv1.k;
let gm = sv1.grad;
let mut best = 0f64;
let xi: Vec<_> = sv1.x.iter().map(|e| e.to_f64().unwrap()).collect();
for i in 0..self.sv.len() {
let v = &self.sv[i];
let xj: Vec<_> = v.x.iter().map(|e| e.to_f64().unwrap()).collect();
let z = v.grad - gm;
let k = cache.get(
sv1,
v,
self.parameters
.kernel
.as_ref()
.unwrap()
.apply(&xi, &xj)
.unwrap(),
);
let mut curv = km + v.k - 2f64 * k;
if curv <= 0f64 {
curv = self.tau.to_f64().unwrap();
}
let mu = z / curv;
if (mu > 0f64 && v.alpha < v.cmax) || (mu < 0f64 && v.alpha > v.cmin) {
let gain = z * mu;
if gain > best {
best = gain;
idx_2 = Some(i);
k_v_12 = Some(k);
}
}
}
let xi: Vec<_> = self.sv[idx_1]
.x
.iter()
.map(|e| e.to_f64().unwrap())
.collect::<Vec<_>>();
idx_2.map(|idx_2| {
(
idx_1,
idx_2,
k_v_12.unwrap_or_else(|| {
self.parameters
.kernel
.as_ref()
.unwrap()
.apply(
&xi,
&self.sv[idx_2]
.x
.iter()
.map(|e| e.to_f64().unwrap())
.collect::<Vec<_>>(),
)
.unwrap()
}),
)
})
}
(None, Some(idx_2)) => {
let mut idx_1 = None;
let sv2 = &self.sv[idx_2];
let mut k_v_12 = None;
let km = sv2.k;
let gm = sv2.grad;
let mut best = 0f64;
let xi: Vec<_> = sv2.x.iter().map(|e| e.to_f64().unwrap()).collect();
for i in 0..self.sv.len() {
let v = &self.sv[i];
let xj: Vec<_> = v.x.iter().map(|e| e.to_f64().unwrap()).collect();
let z = gm - v.grad;
let k = cache.get(
sv2,
v,
self.parameters
.kernel
.as_ref()
.unwrap()
.apply(&xi, &xj)
.unwrap(),
);
let mut curv = km + v.k - 2f64 * k;
if curv <= 0f64 {
curv = self.tau.to_f64().unwrap();
}
let mu = z / curv;
if (mu > 0f64 && v.alpha > v.cmin) || (mu < 0f64 && v.alpha < v.cmax) {
let gain = z * mu;
if gain > best {
best = gain;
idx_1 = Some(i);
k_v_12 = Some(k);
}
}
}
let xj: Vec<_> = self.sv[idx_2]
.x
.iter()
.map(|e| e.to_f64().unwrap())
.collect();
idx_1.map(|idx_1| {
(
idx_1,
idx_2,
k_v_12.unwrap_or_else(|| {
self.parameters
.kernel
.as_ref()
.unwrap()
.apply(
&self.sv[idx_1]
.x
.iter()
.map(|e| e.to_f64().unwrap())
.collect::<Vec<_>>(),
&xj,
)
.unwrap()
}),
)
})
}
(Some(idx_1), Some(idx_2)) => Some((
idx_1,
idx_2,
self.parameters
.kernel
.as_ref()
.unwrap()
.apply(
&self.sv[idx_1]
.x
.iter()
.map(|e| e.to_f64().unwrap())
.collect::<Vec<_>>(),
&self.sv[idx_2]
.x
.iter()
.map(|e| e.to_f64().unwrap())
.collect::<Vec<_>>(),
)
.unwrap(),
)),
}
}
fn smo(
&mut self,
idx_1: Option<usize>,
idx_2: Option<usize>,
tol: TX,
cache: &mut Cache<TX, TY, X, Y>,
) -> bool {
match self.select_pair(idx_1, idx_2, cache) {
Some((idx_1, idx_2, k_v_12)) => {
let mut curv = self.sv[idx_1].k + self.sv[idx_2].k - 2f64 * k_v_12;
if curv <= 0f64 {
curv = self.tau.to_f64().unwrap();
}
let mut step = (self.sv[idx_2].grad - self.sv[idx_1].grad) / curv;
if step >= 0f64 {
let mut ostep = self.sv[idx_1].alpha - self.sv[idx_1].cmin;
if ostep < step {
step = ostep;
}
ostep = self.sv[idx_2].cmax - self.sv[idx_2].alpha;
if ostep < step {
step = ostep;
}
} else {
let mut ostep = self.sv[idx_2].cmin - self.sv[idx_2].alpha;
if ostep > step {
step = ostep;
}
ostep = self.sv[idx_1].alpha - self.sv[idx_1].cmax;
if ostep > step {
step = ostep;
}
}
self.update(idx_1, idx_2, TX::from(step).unwrap(), cache);
self.gmax - self.gmin > tol
}
None => false,
}
}
fn update(&mut self, v1: usize, v2: usize, step: TX, cache: &mut Cache<TX, TY, X, Y>) {
self.sv[v1].alpha -= step.to_f64().unwrap();
self.sv[v2].alpha += step.to_f64().unwrap();
let xi_v1: Vec<_> = self.sv[v1].x.iter().map(|e| e.to_f64().unwrap()).collect();
let xi_v2: Vec<_> = self.sv[v2].x.iter().map(|e| e.to_f64().unwrap()).collect();
for i in 0..self.sv.len() {
let xj: Vec<_> = self.sv[i].x.iter().map(|e| e.to_f64().unwrap()).collect();
let k2 = cache.get(
&self.sv[v2],
&self.sv[i],
self.parameters
.kernel
.as_ref()
.unwrap()
.apply(&xi_v2, &xj)
.unwrap(),
);
let k1 = cache.get(
&self.sv[v1],
&self.sv[i],
self.parameters
.kernel
.as_ref()
.unwrap()
.apply(&xi_v1, &xj)
.unwrap(),
);
self.sv[i].grad -= step.to_f64().unwrap() * (k2 - k1);
}
self.recalculate_minmax_grad = true;
self.find_min_max_gradient();
}
}
#[cfg(test)]
mod tests {
use num::ToPrimitive;
use super::*;
use crate::linalg::basic::matrix::DenseMatrix;
use crate::metrics::accuracy;
use crate::svm::Kernels;
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn svc_fit_predict() {
let x = DenseMatrix::from_2d_array(&[
&[5.1, 3.5, 1.4, 0.2],
&[4.9, 3.0, 1.4, 0.2],
&[4.7, 3.2, 1.3, 0.2],
&[4.6, 3.1, 1.5, 0.2],
&[5.0, 3.6, 1.4, 0.2],
&[5.4, 3.9, 1.7, 0.4],
&[4.6, 3.4, 1.4, 0.3],
&[5.0, 3.4, 1.5, 0.2],
&[4.4, 2.9, 1.4, 0.2],
&[4.9, 3.1, 1.5, 0.1],
&[7.0, 3.2, 4.7, 1.4],
&[6.4, 3.2, 4.5, 1.5],
&[6.9, 3.1, 4.9, 1.5],
&[5.5, 2.3, 4.0, 1.3],
&[6.5, 2.8, 4.6, 1.5],
&[5.7, 2.8, 4.5, 1.3],
&[6.3, 3.3, 4.7, 1.6],
&[4.9, 2.4, 3.3, 1.0],
&[6.6, 2.9, 4.6, 1.3],
&[5.2, 2.7, 3.9, 1.4],
])
.unwrap();
let y: Vec<i32> = vec![
-1, -1, -1, -1, -1, -1, -1, -1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1,
];
let knl = Kernels::linear();
let parameters = SVCParameters::default()
.with_c(200.0)
.with_kernel(knl)
.with_seed(Some(100));
let y_hat = SVC::fit(&x, &y, &parameters)
.and_then(|lr| lr.predict(&x))
.unwrap();
let acc = accuracy(&y, &(y_hat.iter().map(|e| e.to_i32().unwrap()).collect()));
assert!(acc >= 0.9, "accuracy ({acc}) is not larger or equal to 0.9");
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn svc_fit_decision_function() {
let x = DenseMatrix::from_2d_array(&[&[4.0, 0.0], &[0.0, 4.0], &[8.0, 0.0], &[0.0, 8.0]])
.unwrap();
let x2 = DenseMatrix::from_2d_array(&[
&[3.0, 3.0],
&[4.0, 4.0],
&[6.0, 6.0],
&[10.0, 10.0],
&[1.0, 1.0],
&[0.0, 0.0],
])
.unwrap();
let y: Vec<i32> = vec![-1, -1, 1, 1];
let y_hat = SVC::fit(
&x,
&y,
&SVCParameters::default()
.with_c(200.0)
.with_kernel(Kernels::linear()),
)
.and_then(|lr| lr.decision_function(&x2))
.unwrap();
// x can be classified by a straight line through [6.0, 0.0] and [0.0, 6.0],
// so the score should increase as points get further away from that line
assert!(y_hat[1] < y_hat[2]);
assert!(y_hat[2] < y_hat[3]);
// for negative scores the score should decrease
assert!(y_hat[4] > y_hat[5]);
// y_hat[0] is on the line, so its score should be close to 0
assert!(num::Float::abs(y_hat[0]) <= 0.1);
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn svc_fit_predict_rbf() {
let x = DenseMatrix::from_2d_array(&[
&[5.1, 3.5, 1.4, 0.2],
&[4.9, 3.0, 1.4, 0.2],
&[4.7, 3.2, 1.3, 0.2],
&[4.6, 3.1, 1.5, 0.2],
&[5.0, 3.6, 1.4, 0.2],
&[5.4, 3.9, 1.7, 0.4],
&[4.6, 3.4, 1.4, 0.3],
&[5.0, 3.4, 1.5, 0.2],
&[4.4, 2.9, 1.4, 0.2],
&[4.9, 3.1, 1.5, 0.1],
&[7.0, 3.2, 4.7, 1.4],
&[6.4, 3.2, 4.5, 1.5],
&[6.9, 3.1, 4.9, 1.5],
&[5.5, 2.3, 4.0, 1.3],
&[6.5, 2.8, 4.6, 1.5],
&[5.7, 2.8, 4.5, 1.3],
&[6.3, 3.3, 4.7, 1.6],
&[4.9, 2.4, 3.3, 1.0],
&[6.6, 2.9, 4.6, 1.3],
&[5.2, 2.7, 3.9, 1.4],
])
.unwrap();
let y: Vec<i32> = vec![
-1, -1, -1, -1, -1, -1, -1, -1, -1, -1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1,
];
let y_hat = SVC::fit(
&x,
&y,
&SVCParameters::default()
.with_c(1.0)
.with_kernel(Kernels::rbf().with_gamma(0.7)),
)
.and_then(|lr| lr.predict(&x))
.unwrap();
let acc = accuracy(&y, &(y_hat.iter().map(|e| e.to_i32().unwrap()).collect()));
assert!(acc >= 0.9, "accuracy ({acc}) is not larger or equal to 0.9");
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
fn svc_multiclass_fit_predict() {
let x = DenseMatrix::from_2d_array(&[
&[5.1, 3.5, 1.4, 0.2],
&[4.9, 3.0, 1.4, 0.2],
&[4.7, 3.2, 1.3, 0.2],
&[4.6, 3.1, 1.5, 0.2],
&[5.0, 3.6, 1.4, 0.2],
&[5.4, 3.9, 1.7, 0.4],
&[4.6, 3.4, 1.4, 0.3],
&[5.0, 3.4, 1.5, 0.2],
&[4.4, 2.9, 1.4, 0.2],
&[4.9, 3.1, 1.5, 0.1],
&[7.0, 3.2, 4.7, 1.4],
&[6.4, 3.2, 4.5, 1.5],
&[6.9, 3.1, 4.9, 1.5],
&[5.5, 2.3, 4.0, 1.3],
&[6.5, 2.8, 4.6, 1.5],
&[5.7, 2.8, 4.5, 1.3],
&[6.3, 3.3, 4.7, 1.6],
&[4.9, 2.4, 3.3, 1.0],
&[6.6, 2.9, 4.6, 1.3],
&[5.2, 2.7, 3.9, 1.4],
])
.unwrap();
let y: Vec<i32> = vec![0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2];
let knl = Kernels::linear();
let parameters = SVCParameters::default()
.with_c(200.0)
.with_kernel(knl)
.with_seed(Some(100));
let y_hat = MultiClassSVC::fit(&x, &y, &parameters)
.and_then(|lr| lr.predict(&x))
.unwrap();
let acc = accuracy(&y, &(y_hat.iter().map(|e| e.to_i32().unwrap()).collect()));
assert!(
acc >= 0.9,
"Multiclass accuracy ({acc}) is not larger or equal to 0.9"
);
}
#[cfg_attr(
all(target_arch = "wasm32", not(target_os = "wasi")),
wasm_bindgen_test::wasm_bindgen_test
)]
#[test]
#[cfg(all(feature = "serde", not(target_arch = "wasm32")))]
fn svc_serde() {
let x = DenseMatrix::from_2d_array(&[
&[5.1, 3.5, 1.4, 0.2],
&[4.9, 3.0, 1.4, 0.2],
&[4.7, 3.2, 1.3, 0.2],
&[4.6, 3.1, 1.5, 0.2],
&[5.0, 3.6, 1.4, 0.2],
&[5.4, 3.9, 1.7, 0.4],
&[4.6, 3.4, 1.4, 0.3],
&[5.0, 3.4, 1.5, 0.2],
&[4.4, 2.9, 1.4, 0.2],
&[4.9, 3.1, 1.5, 0.1],
&[7.0, 3.2, 4.7, 1.4],
&[6.4, 3.2, 4.5, 1.5],
&[6.9, 3.1, 4.9, 1.5],
&[5.5, 2.3, 4.0, 1.3],
&[6.5, 2.8, 4.6, 1.5],
&[5.7, 2.8, 4.5, 1.3],
&[6.3, 3.3, 4.7, 1.6],
&[4.9, 2.4, 3.3, 1.0],
&[6.6, 2.9, 4.6, 1.3],
&[5.2, 2.7, 3.9, 1.4],
])
.unwrap();
let y: Vec<i32> = vec![
-1, -1, -1, -1, -1, -1, -1, -1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1,
];
let knl = Kernels::linear();
let parameters = SVCParameters::default().with_kernel(knl);
let svc = SVC::fit(&x, &y, &parameters).unwrap();
// serialization
let deserialized_svc: SVC<'_, f64, i32, _, _> =
serde_json::from_str(&serde_json::to_string(&svc).unwrap()).unwrap();
assert_eq!(svc, deserialized_svc);
}
}