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</pre><pre class="rust"><code><span class="doccomment">//! Gaussian Processes
//!
//! Provides implementation of gaussian process regression.
//!
//! # Usage
//!
//! ```
//! use rusty_machine::learning::gp;
//! use rusty_machine::learning::SupModel;
//! use rusty_machine::linalg::Matrix;
//! use rusty_machine::linalg::Vector;
//!
//! let mut gaussp = gp::GaussianProcess::default();
//! gaussp.noise = 10f64;
//!
//! let train_data = Matrix::new(10,1,vec![0.,1.,2.,3.,4.,5.,6.,7.,8.,9.]);
//! let target = Vector::new(vec![0.,1.,2.,3.,4.,4.,3.,2.,1.,0.]);
//!
//! gaussp.train(&amp;train_data, &amp;target).unwrap();
//!
//! let test_data = Matrix::new(5,1,vec![2.3,4.4,5.1,6.2,7.1]);
//!
//! let outputs = gaussp.predict(&amp;test_data).unwrap();
//! ```
//! Alternatively one could use `gaussp.get_posterior()` which would return both
//! the predictive mean and covariance. However, this is likely to change in
//! a future release.
</span><span class="kw">use </span>learning::toolkit::kernel::{Kernel, SquaredExp};
<span class="kw">use </span>linalg::{Matrix, BaseMatrix, Decomposition, Cholesky};
<span class="kw">use </span>linalg::Vector;
<span class="kw">use </span>learning::{LearningResult, SupModel};
<span class="kw">use </span>learning::error::{Error, ErrorKind};
<span class="doccomment">/// Trait for GP mean functions.
</span><span class="kw">pub trait </span>MeanFunc {
<span class="doccomment">/// Compute the mean function applied elementwise to a matrix.
</span><span class="kw">fn </span>func(<span class="kw-2">&amp;</span><span class="self">self</span>, x: Matrix&lt;f64&gt;) -&gt; Vector&lt;f64&gt;;
}
<span class="doccomment">/// Constant mean function
</span><span class="attribute">#[derive(Clone, Copy, Debug)]
</span><span class="kw">pub struct </span>ConstMean {
a: f64,
}
<span class="doccomment">/// Constructs the zero function.
</span><span class="kw">impl </span>Default <span class="kw">for </span>ConstMean {
<span class="kw">fn </span>default() -&gt; ConstMean {
ConstMean { a: <span class="number">0f64 </span>}
}
}
<span class="kw">impl </span>MeanFunc <span class="kw">for </span>ConstMean {
<span class="kw">fn </span>func(<span class="kw-2">&amp;</span><span class="self">self</span>, x: Matrix&lt;f64&gt;) -&gt; Vector&lt;f64&gt; {
Vector::zeros(x.rows()) + <span class="self">self</span>.a
}
}
<span class="doccomment">/// Gaussian Process struct
///
/// Gaussian process with generic kernel and deterministic mean function.
/// Can be used for gaussian process regression with noise.
/// Currently does not support classification.
</span><span class="attribute">#[derive(Debug)]
</span><span class="kw">pub struct </span>GaussianProcess&lt;T: Kernel, U: MeanFunc&gt; {
ker: T,
mean: U,
<span class="doccomment">/// The observation noise of the GP.
</span><span class="kw">pub </span>noise: f64,
alpha: <span class="prelude-ty">Option</span>&lt;Vector&lt;f64&gt;&gt;,
train_mat: <span class="prelude-ty">Option</span>&lt;Matrix&lt;f64&gt;&gt;,
train_data: <span class="prelude-ty">Option</span>&lt;Matrix&lt;f64&gt;&gt;,
}
<span class="doccomment">/// Construct a default Gaussian Process
///
/// The defaults are:
///
/// - Squared Exponential kernel.
/// - Zero-mean function.
/// - Zero noise.
///
/// Note that zero noise can often lead to numerical instability.
/// A small value for the noise may be a better alternative.
</span><span class="kw">impl </span>Default <span class="kw">for </span>GaussianProcess&lt;SquaredExp, ConstMean&gt; {
<span class="kw">fn </span>default() -&gt; GaussianProcess&lt;SquaredExp, ConstMean&gt; {
GaussianProcess {
ker: SquaredExp::default(),
mean: ConstMean::default(),
noise: <span class="number">0f64</span>,
train_mat: <span class="prelude-val">None</span>,
train_data: <span class="prelude-val">None</span>,
alpha: <span class="prelude-val">None</span>,
}
}
}
<span class="kw">impl</span>&lt;T: Kernel, U: MeanFunc&gt; GaussianProcess&lt;T, U&gt; {
<span class="doccomment">/// Construct a new Gaussian Process.
///
/// # Examples
///
/// ```
/// use rusty_machine::learning::gp;
/// use rusty_machine::learning::toolkit::kernel;
///
/// let ker = kernel::SquaredExp::default();
/// let mean = gp::ConstMean::default();
/// let gaussp = gp::GaussianProcess::new(ker, mean, 1e-3f64);
/// ```
</span><span class="kw">pub fn </span>new(ker: T, mean: U, noise: f64) -&gt; GaussianProcess&lt;T, U&gt; {
GaussianProcess {
ker: ker,
mean: mean,
noise: noise,
train_mat: <span class="prelude-val">None</span>,
train_data: <span class="prelude-val">None</span>,
alpha: <span class="prelude-val">None</span>,
}
}
<span class="doccomment">/// Construct a kernel matrix
</span><span class="kw">fn </span>ker_mat(<span class="kw-2">&amp;</span><span class="self">self</span>, m1: <span class="kw-2">&amp;</span>Matrix&lt;f64&gt;, m2: <span class="kw-2">&amp;</span>Matrix&lt;f64&gt;) -&gt; LearningResult&lt;Matrix&lt;f64&gt;&gt; {
<span class="kw">if </span>m1.cols() != m2.cols() {
<span class="prelude-val">Err</span>(Error::new(ErrorKind::InvalidState,
<span class="string">&quot;Inputs to kernel matrices have different column counts.&quot;</span>))
} <span class="kw">else </span>{
<span class="kw">let </span>dim1 = m1.rows();
<span class="kw">let </span>dim2 = m2.rows();
<span class="kw">let </span><span class="kw-2">mut </span>ker_data = Vec::with_capacity(dim1 * dim2);
ker_data.extend(m1.row_iter().flat_map(|row1| {
m2.row_iter()
.map(<span class="kw">move </span>|row2| <span class="self">self</span>.ker.kernel(row1.raw_slice(), row2.raw_slice()))
}));
<span class="prelude-val">Ok</span>(Matrix::new(dim1, dim2, ker_data))
}
}
}
<span class="kw">impl</span>&lt;T: Kernel, U: MeanFunc&gt; SupModel&lt;Matrix&lt;f64&gt;, Vector&lt;f64&gt;&gt; <span class="kw">for </span>GaussianProcess&lt;T, U&gt; {
<span class="doccomment">/// Predict output from inputs.
</span><span class="kw">fn </span>predict(<span class="kw-2">&amp;</span><span class="self">self</span>, inputs: <span class="kw-2">&amp;</span>Matrix&lt;f64&gt;) -&gt; LearningResult&lt;Vector&lt;f64&gt;&gt; {
<span class="comment">// Messy referencing for succint syntax
</span><span class="kw">if let </span>(<span class="kw-2">&amp;</span><span class="prelude-val">Some</span>(<span class="kw-2">ref </span>alpha), <span class="kw-2">&amp;</span><span class="prelude-val">Some</span>(<span class="kw-2">ref </span>t_data)) = (<span class="kw-2">&amp;</span><span class="self">self</span>.alpha, <span class="kw-2">&amp;</span><span class="self">self</span>.train_data) {
<span class="kw">let </span>mean = <span class="self">self</span>.mean.func(inputs.clone());
<span class="kw">let </span>post_mean = <span class="self">self</span>.ker_mat(inputs, t_data)<span class="question-mark">? </span>* alpha;
<span class="prelude-val">Ok</span>(mean + post_mean)
} <span class="kw">else </span>{
<span class="prelude-val">Err</span>(Error::new(ErrorKind::UntrainedModel, <span class="string">&quot;The model has not been trained.&quot;</span>))
}
}
<span class="doccomment">/// Train the model using data and outputs.
</span><span class="kw">fn </span>train(<span class="kw-2">&amp;mut </span><span class="self">self</span>, inputs: <span class="kw-2">&amp;</span>Matrix&lt;f64&gt;, targets: <span class="kw-2">&amp;</span>Vector&lt;f64&gt;) -&gt; LearningResult&lt;()&gt; {
<span class="kw">let </span>noise_mat = Matrix::identity(inputs.rows()) * <span class="self">self</span>.noise;
<span class="kw">let </span>ker_mat = <span class="self">self</span>.ker_mat(inputs, inputs).unwrap();
<span class="kw">let </span>train_mat = Cholesky::decompose(ker_mat + noise_mat).map_err(|<span class="kw">_</span>| {
Error::new(ErrorKind::InvalidState,
<span class="string">&quot;Could not compute Cholesky decomposition.&quot;</span>)
})<span class="question-mark">?</span>.unpack();
<span class="kw">let </span>x = train_mat.solve_l_triangular(targets - <span class="self">self</span>.mean.func(inputs.clone())).unwrap();
<span class="kw">let </span>alpha = train_mat.transpose().solve_u_triangular(x).unwrap();
<span class="self">self</span>.train_mat = <span class="prelude-val">Some</span>(train_mat);
<span class="self">self</span>.train_data = <span class="prelude-val">Some</span>(inputs.clone());
<span class="self">self</span>.alpha = <span class="prelude-val">Some</span>(alpha);
<span class="prelude-val">Ok</span>(())
}
}
<span class="kw">impl</span>&lt;T: Kernel, U: MeanFunc&gt; GaussianProcess&lt;T, U&gt; {
<span class="doccomment">/// Compute the posterior distribution [UNSTABLE]
///
/// Requires the model to be trained first.
///
/// Outputs the posterior mean and covariance matrix.
</span><span class="kw">pub fn </span>get_posterior(<span class="kw-2">&amp;</span><span class="self">self</span>,
inputs: <span class="kw-2">&amp;</span>Matrix&lt;f64&gt;)
-&gt; LearningResult&lt;(Vector&lt;f64&gt;, Matrix&lt;f64&gt;)&gt; {
<span class="kw">if let </span>(<span class="kw-2">&amp;</span><span class="prelude-val">Some</span>(<span class="kw-2">ref </span>t_mat), <span class="kw-2">&amp;</span><span class="prelude-val">Some</span>(<span class="kw-2">ref </span>alpha), <span class="kw-2">&amp;</span><span class="prelude-val">Some</span>(<span class="kw-2">ref </span>t_data)) = (<span class="kw-2">&amp;</span><span class="self">self</span>.train_mat,
<span class="kw-2">&amp;</span><span class="self">self</span>.alpha,
<span class="kw-2">&amp;</span><span class="self">self</span>.train_data) {
<span class="kw">let </span>mean = <span class="self">self</span>.mean.func(inputs.clone());
<span class="kw">let </span>post_mean = mean + <span class="self">self</span>.ker_mat(inputs, t_data)<span class="question-mark">? </span>* alpha;
<span class="kw">let </span>test_mat = <span class="self">self</span>.ker_mat(inputs, t_data)<span class="question-mark">?</span>;
<span class="kw">let </span><span class="kw-2">mut </span>var_data = Vec::with_capacity(inputs.rows() * inputs.cols());
<span class="kw">for </span>row <span class="kw">in </span>test_mat.row_iter() {
<span class="kw">let </span>test_point = Vector::new(row.raw_slice());
var_data.append(<span class="kw-2">&amp;mut </span>t_mat.solve_l_triangular(test_point).unwrap().into_vec());
}
<span class="kw">let </span>v_mat = Matrix::new(test_mat.rows(), test_mat.cols(), var_data);
<span class="kw">let </span>post_var = <span class="self">self</span>.ker_mat(inputs, inputs)<span class="question-mark">? </span>- <span class="kw-2">&amp;</span>v_mat * v_mat.transpose();
<span class="prelude-val">Ok</span>((post_mean, post_var))
} <span class="kw">else </span>{
<span class="prelude-val">Err</span>(Error::new_untrained())
}
}
}
</code></pre></div>
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