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 Dukic, Vanja


WENDy for Nonlinear-in-Parameter ODEs

arXiv.org Machine Learning

The Weak-form Estimation of Non-linear Dynamics (WENDy) algorithm is extended to accommodate systems of ordinary differential equations that are nonlinear-in-parameters (NiP). The extension rests on derived analytic expressions for a likelihood function, its gradient and its Hessian matrix. WENDy makes use of these to approximate a maximum likelihood estimator based on optimization routines suited for non-convex optimization problems. The resulting parameter estimation algorithm has better accuracy, a substantially larger domain of convergence, and is often orders of magnitude faster than the conventional output error least squares method (based on forward solvers). The WENDy.jl algorithm is efficiently implemented in Julia. We demonstrate the algorithm's ability to accommodate the weak form optimization for both additive normal and multiplicative log-normal noise, and present results on a suite of benchmark systems of ordinary differential equations. In order to demonstrate the practical benefits of our approach, we present extensive comparisons between our method and output error methods in terms of accuracy, precision, bias, and coverage.


Learning Weather Models from Data with WSINDy

arXiv.org Artificial Intelligence

Since its modern inception in the pioneering computational work of Charney, Fjörtoft, and Von Neumann (see Charney et al. (1950)), numerical weather prediction (NWP) has proven to present formidable mathematical challenges. In particular, many dynamic models of weather phenomena exhibit multiscale and turbulent features which have been known since the seminal work of Lorenz (1963) to lead to a sensitive dependence on initial conditions. As a consequence, the uncertainties present in a set of initial observations grow exponentially in time under these models, bounding the predictive power of most numerical weather forecasts to medium-range time scales ( 14 days). This chaotic behavior is exacerbated by the computational reality that simulations of the relevant physics can only capture a finite range of scales, so that the physical influence of unresolved scales is either ignored or approximated by subgrid closure models. In recent years, there has been an explosion of interest surrounding data-driven approaches to weather modeling (see, e.g., Rasp et al. (2024) and Karlbauer et al. (2024) for a discussion and recent benchmarks). In contrast to traditional NWP, which relies on numerical simulations of physics-based weather models, these novel data-driven approaches learn effective weather models directly from empirical data.


Weak-Form Inference for Hybrid Dynamical Systems in Ecology

arXiv.org Artificial Intelligence

Species subject to predation and environmental threats commonly exhibit variable periods of population boom and bust over long timescales. Understanding and predicting such behavior, especially given the inherent heterogeneity and stochasticity of exogenous driving factors over short timescales, is an ongoing challenge. A modeling paradigm gaining popularity in the ecological sciences for such multi-scale effects is to couple short-term continuous dynamics to long-term discrete updates. We develop a data-driven method utilizing weak-form equation learning to extract such hybrid governing equations for population dynamics and to estimate the requisite parameters using sparse intermittent measurements of the discrete and continuous variables. The method produces a set of short-term continuous dynamical system equations parametrized by long-term variables, and long-term discrete equations parametrized by short-term variables, allowing direct assessment of interdependencies between the two time scales. We demonstrate the utility of the method on a variety of ecological scenarios and provide extensive tests using models previously derived for epizootics experienced by the North American spongy moth (Lymantria dispar dispar).


Direct Estimation of Parameters in ODE Models Using WENDy: Weak-form Estimation of Nonlinear Dynamics

arXiv.org Artificial Intelligence

We introduce the Weak-form Estimation of Nonlinear Dynamics (WENDy) method for estimating model parameters for non-linear systems of ODEs. Without relying on any numerical differential equation solvers, WENDy computes accurate estimates and is robust to large (biologically relevant) levels of measurement noise. For low dimensional systems with modest amounts of data, WENDy is competitive with conventional forward solver-based nonlinear least squares methods in terms of speed and accuracy. For both higher dimensional systems and stiff systems, WENDy is typically both faster (often by orders of magnitude) and more accurate than forward solver-based approaches. The core mathematical idea involves an efficient conversion of the strong form representation of a model to its weak form, and then solving a regression problem to perform parameter inference. The core statistical idea rests on the Errors-In-Variables framework, which necessitates the use of the iteratively reweighted least squares algorithm. Further improvements are obtained by using orthonormal test functions, created from a set of C-infinity bump functions of varying support sizes. We demonstrate the high robustness and computational efficiency by applying WENDy to estimate parameters in some common models from population biology, neuroscience, and biochemistry, including logistic growth, Lotka-Volterra, FitzHugh-Nagumo, Hindmarsh-Rose, and a Protein Transduction Benchmark model. Software and code for reproducing the examples is available at (https://github.com/MathBioCU/WENDy).