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Nibodh Boddupalli

Publications and source records attributed to Nibodh Boddupalli.

8 recordsLinked to original sources

Symbolic Neural ODEs: Learning interpretable models from time-series data

We present a machine learning framework for identifying sparse, interpretable models of dynamical systems directly from time-series data. Our approach parameterizes the underlying vector field using a neural architecture and trains it by minimizing a multi-step prediction loss over a finite horizon. To ensure numerical tractability, we optimize a mean absolute error objective averaged across prediction steps, and progressively increase the horizon during training. A key feature of this formulation is that it enforces consistency under repeated composition of the learned dynamics. As a result, the identified models exhibit significantly improved stability compared with approaches based on one-step regression of the vector field. When combined with sparsity-promoting regularization, this leads to parsimonious models that generalize beyond the training data. We demonstrate accurate recovery of systems exhibiting a wide range of behaviors, including stable and unstable fixed points, periodic orbits, and chaotic attractors. For chaotic systems, while long-term trajectory prediction is inherently limited by sensitivity to initial conditions, we show that multi-step training yields models with accurate short-term dynamics and strong agreement in long-time statistical properties, including mean, variance, and Lyapunov exponents. Moreover, we establish theoretical bounds linking trajectory error to statistical accuracy, providing a step toward a principled explanation for this behavior.

cs.LG↗

Symbolic Regression via Neural Networks

Identifying governing equations for a dynamical system is a topic of critical interest across an array of disciplines, from mathematics to engineering to biology. Machine learning -- specifically deep learning -- techniques have shown their capabilities in approximating dynamics from data, but a shortcoming of traditional deep learning is that there is little insight into the underlying mapping beyond its numerical output for a given input. This limits their utility in analysis beyond simple prediction. Simultaneously, a number of strategies exist which identify models based on a fixed dictionary of basis functions, but most either require some intuition or insight about the system, or are susceptible to overfitting or a lack of parsimony. Here we present a novel approach that combines the flexibility and accuracy of deep learning approaches with the utility of symbolic solutions: a deep neural network that generates a symbolic expression for the governing equations. We first describe the architecture for our model, then show the accuracy of our algorithm across a range of classical dynamical systems.

math.DS↗

Expressive Symbolic Regression for Interpretable Models of Discrete-Time Dynamical Systems

Interpretable mathematical expressions defining discrete-time dynamical systems (iterated maps) can model many phenomena of scientific interest, enabling a deeper understanding of system behaviors. Since formulating governing expressions from first principles can be difficult, it is of particular interest to identify expressions for iterated maps given only their data streams. In this work, we consider a modified Symbolic Artificial Neural Network-Trained Expressions (SymANNTEx) architecture for this task, an architecture more expressive than others in the literature. We make a modification to the model pipeline to optimize the regression, then characterize the behavior of the adjusted model in identifying several classical chaotic maps. With the goal of parsimony, sparsity-inducing weight regularization and information theory-informed simplification are implemented. We show that our modified SymANNTEx model properly identifies single-state maps and achieves moderate success in approximating a dual-state attractor. These performances offer significant promise for data-driven scientific discovery and interpretation.

cs.LG↗

Extending dynamic mode decomposition to data from multiple outputs

System identification based on Koopman operator theory has grown in popularity recently. Spectral properties of the Koopman operator of a system were proven to relate to properties like invariant sets, stability, periodicity, etc. of the underlying system. Estimation of these spectral objects has become widely accessible with the numerous algorithms developed in recent years. We show how one such algorithm -- extended dynamic mode decomposition -- can be used on data from multiple outputs of a system. These outputs that are functions of state are called observables in the literature and could be known outputs like the state itself or unknown outputs like data from sensors used in systems of biological interest. To this end, we approximate the desired observables and their iterates in time using minimizers of regularized least-squares problems which have analytic solutions with heuristic provisions for expected estimates.

math.OC↗

Prediction of fitness in bacteria with causal jump dynamic mode decomposition

In this paper, we consider the problem of learning a predictive model for population cell growth dynamics as a function of the media conditions. We first introduce a generic data-driven framework for training operator-theoretic models to predict cell growth rate. We then introduce the experimental design and data generated in this study, namely growth curves of Pseudomonas putida as a function of casein and glucose concentrations. We use a data driven approach for model identification, specifically the nonlinear autoregressive (NAR) model to represent the dynamics. We show theoretically that Hankel DMD can be used to obtain a solution of the NAR model. We show that it identifies a constrained NAR model and to obtain a more general solution, we define a causal state space system using 1-step,2-step,...,τ-step predictors of the NAR model and identify a Koopman operator for this model using extended dynamic mode decomposition. The hybrid scheme we call causal-jump dynamic mode decomposition, which we illustrate on a growth profile or fitness prediction challenge as a function of different input growth conditions. We show that our model is able to recapitulate training growth curve data with 96.6% accuracy and predict test growth curve data with 91% accuracy.

math.OC↗

Steady state programming of controlled nonlinear systems via deep dynamic mode decomposition

This paper describes the optimal selection of a control policy to program the steady state of controlled nonlinear systems with hyperbolic fixed points. This work is motivated by the field of synthetic biology, in which saddle points are common (along with limit cycles), and the aim is to program cells to perform both digital and analog computation, though developing genetic digital computation has been the main focus. We frame the analog computing challenge of generating a steady state input-output function inside living cells. To program the steady state, a data-driven approach is taken wherein an approximation of the Koopman operator, identified via deep dynamic mode decomposition, is used to describe the dynamics of the system linearly. The new representation of the dynamics are then used to solve an optimization problem for the input which maximizes a direction in state space. Some added structure on the Koopman operator learning process for controlled systems is given for dynamics that are separable in the state and input. Finally, the methods are demonstrated on simulation examples of an incoherent feedforward loop and a combinatorial promoter system, two common network architectures seen in the field of synthetic biology.

math.DS↗

Optimal reporter placement in sparsely measured genetic networks using the Koopman operator

Optimal sensor placement is an important yet unsolved problem in control theory. In biological organisms, genetic activity is often highly nonlinear, making it difficult to design libraries of promoters to act as reporters of the cell state. We make use of the Koopman observability gramian to develop an algorithm for optimal sensor (or reporter) placement for discrete time nonlinear dynamical systems to ease the difficulty of design of the promoter library. This ease is enabled due to the fact that the Koopman operator represents the evolution of a nonlinear system linearly by lifting the states to an infinite-dimensional space of observables. The Koopman framework ideally demands high temporal resolution, but data in biology are often sampled sparsely in time. Therefore we compute what we call the temporally fine-grained Koopman operator from the temporally coarse-grained Koopman operator, the latter of which is identified from the sparse data. The optimal placement of sensors then corresponds to maximizing the observability of the fine-grained system. We demonstrate the algorithm on a simulation example of a circadian oscillator.

q-bio.MN↗

Koopman Operators for Generalized Persistence of Excitation Conditions for Nonlinear Systems

It is hard to identify nonlinear biological models strictly from data, with results that are often sensitive to experimental conditions. Automated experimental workflows and liquid handling enables unprecedented throughput, as well as the capacity to generate extremely large datasets. We seek to develop generalized identifiability conditions for informing the design of automated experiments to discover predictive nonlinear biological models. For linear systems, identifiability is characterized by persistence of excitation conditions. For nonlinear systems, no such persistence of excitation conditions exist. We use the input-Koopman operator method to model nonlinear systems and derive identifiability conditions for open-loop systems initialized from a single initial condition. We show that nonlinear identifiability is intrinsically tied to the rank of a given dataset's power spectral density, transformed through the lifted Koopman observable space. We illustrate these identifiability conditions with a simulated synthetic gene circuit model, the repressilator. We illustrate how rank degeneracy in datasets results in overfitted nonlinear models of the repressilator, resulting in poor predictive accuracy. Our findings provide novel experimental design criteria for discovery of globally predictive nonlinear models of biological phenomena.

math.DS↗