varpro

This library provides robust and fast least-squares fitting of nonlinear, separable model functions to observations. It uses the VarPro algorithm to achieve this.

Brief Introduction

The lack of formulas on this site makes it hard to get into the depth of the what and how of this crate at this point. Refer to the documentation for all the meaty details including the math.

What are Separable Model Functions?

Put simply, separable model functions are nonlinear functions that can be written as a linear combination of some nonlinear basis functions. A common use case for VarPro is e.g. fitting sums of exponentials, which is a notoriously ill-conditioned problem.

What is VarPro?

Variable Projection (VarPro) is an algorithm that takes advantage of the fact that the fitting problem can be separated into linear and truly nonlinear parameters. The linear parameters are eliminated and the fitting problem is cast into a problem that only depends on the nonlinear parameters. This reduced problem is then solved by using a common nonlinear fitting algorithm, such as Levenberg-Marquardt (LM).

When Should You Give it a Try?

VarPro can dramatically increase the robustness and speed of the fitting process compared to using the nonlinear exclusively. When * the model function you want to fit is a linear combination of nonlinear functions * and you know the analytical derivatives of all those functions

then you should give it a whirl.

Example Usage

The following example shows how to use varpro to fit a double exponential decay with constant offset to a data vector y obtained at grid points x. Refer to the documentation for a more in-depth guide.

The exponential decay and it's derivative are given as:

```rust use nalgebra::DVector; fn exp_decay(x :&DVector, tau : f64) -> DVector { x.map(|x|(-x/tau).exp()) }

fn expdecaydtau(tvec: &DVector,tau: f64) -> DVector { tvec.map(|t| (-t / tau).exp() * t / tau.powi(2)) } ```

The steps to perform the fitting are:

```rust use varpro::prelude::*; use varpro::solvers::levmar::{LevMarProblemBuilder, LevMarSolver};

let x = /time or spatial coordinates of the observations/; let y = /the observed data we want to fit/;

// 1. create the model by giving only the nonlinear parameter names it depends on let model = SeparableModelBuilder::::new(&["tau1", "tau2"]) .function(&["tau1"], expdecay) .partialderiv("tau1", expdecaydtau) .function(&["tau2"], expdecay) .partialderiv("tau2", expdecaydtau) .invariantfunction(|x|DVector::fromelement(x.len(),1.)) .independentvariable(x) .initialparameters(initialparams) .build() .unwrap(); // 2. Cast the fitting problem as a nonlinear least squares minimization problem let problem = LevMarProblemBuilder::new(model) .observations(y) .build() .unwrap(); // 3. Solve the fitting problem let (solvedproblem, report) = LevMarSolver::new().minimize(problem); assert!(report.termination.wassuccessful()); // 4. obtain the nonlinear parameters after fitting let alpha = solvedproblem.params(); // 5. obtain the linear parameters let c = solvedproblem.linearcoefficients().unwrap(); ```

For more examples please refer to the crate documentation.

Maximum Performance

While the example code above should already run many times faster than an equivalent implementation using just a nonlinear solver without the magic of varpro, this crate offers a way of squeezing out the last bits of performance. The SeparableNonlinearModel can be manually implemented to shave of the last hundreds of microseconds from the computation. The crate documentation contains detailed examples.

References and Further Reading

(O'Leary2013) O’Leary, D.P., Rust, B.W. Variable projection for nonlinear least squares problems. Comput Optim Appl 54, 579–593 (2013). DOI: 10.1007/s10589-012-9492-9

attention: the O'Leary paper contains errors that are fixed (so I hope) in this blog article of mine.

(Golub2003) Golub, G. , Pereyra, V Separable nonlinear least squares: the variable projection method and its applications. Inverse Problems 19 R1 (2003) https://iopscience.iop.org/article/10.1088/0266-5611/19/2/201