SYJun 22, 2023Code
PyKoopman: A Python Package for Data-Driven Approximation of the Koopman OperatorShaowu Pan, Eurika Kaiser, Brian M. de Silva et al. · amazon-science
PyKoopman is a Python package for the data-driven approximation of the Koopman operator associated with a dynamical system. The Koopman operator is a principled linear embedding of nonlinear dynamics and facilitates the prediction, estimation, and control of strongly nonlinear dynamics using linear systems theory. In particular, PyKoopman provides tools for data-driven system identification for unforced and actuated systems that build on the equation-free dynamic mode decomposition (DMD) and its variants. In this work, we provide a brief description of the mathematical underpinnings of the Koopman operator, an overview and demonstration of the features implemented in PyKoopman (with code examples), practical advice for users, and a list of potential extensions to PyKoopman. Software is available at http://github.com/dynamicslab/pykoopman
NAAug 22, 2018Code
Deep learning of dynamics and signal-noise decomposition with time-stepping constraintsSamuel H. Rudy, J. Nathan Kutz, Steven L. Brunton
A critical challenge in the data-driven modeling of dynamical systems is producing methods robust to measurement error, particularly when data is limited. Many leading methods either rely on denoising prior to learning or on access to large volumes of data to average over the effect of noise. We propose a novel paradigm for data-driven modeling that simultaneously learns the dynamics and estimates the measurement noise at each observation. By constraining our learning algorithm, our method explicitly accounts for measurement error in the map between observations, treating both the measurement error and the dynamics as unknowns to be identified, rather than assuming idealized noiseless trajectories. We model the unknown vector field using a deep neural network, imposing a Runge-Kutta integrator structure to isolate this vector field, even when the data has a non-uniform timestep, thus constraining and focusing the modeling effort. We demonstrate the ability of this framework to form predictive models on a variety of canonical test problems of increasing complexity and show that it is robust to substantial amounts of measurement error. We also discuss issues with the generalizability of neural network models for dynamical systems and provide open-source code for all examples.
SYNov 29, 2017Code
Dynamic mode decomposition for compressive system identificationZhe Bai, Eurika Kaiser, Joshua L. Proctor et al.
Dynamic mode decomposition has emerged as a leading technique to identify spatiotemporal coherent structures from high-dimensional data, benefiting from a strong connection to nonlinear dynamical systems via the Koopman operator. In this work, we integrate and unify two recent innovations that extend DMD to systems with actuation [Proctor et al., 2016] and systems with heavily subsampled measurements [Brunton et al., 2015]. When combined, these methods yield a novel framework for compressive system identification [code is publicly available at: https://github.com/zhbai/cDMDc]. It is possible to identify a low-order model from limited input-output data and reconstruct the associated full-state dynamic modes with compressed sensing, adding interpretability to the state of the reduced-order model. Moreover, when full-state data is available, it is possible to dramatically accelerate downstream computations by first compressing the data. We demonstrate this unified framework on two model systems, investigating the effects of sensor noise, different types of measurements (e.g., point sensors, Gaussian random projections, etc.), compression ratios, and different choices of actuation (e.g., localized, broadband, etc.). In the first example, we explore this architecture on a test system with known low-rank dynamics and an artificially inflated state dimension. The second example consists of a real-world engineering application given by the fluid flow past a pitching airfoil at low Reynolds number. This example provides a challenging and realistic test-case for the proposed method, and results demonstrate that the dominant coherent structures are well characterized despite actuation and heavily subsampled data.
LGFeb 4, 2023Code
Benchmarking sparse system identification with low-dimensional chaosAlan A. Kaptanoglu, Lanyue Zhang, Zachary G. Nicolaou et al.
Sparse system identification is the data-driven process of obtaining parsimonious differential equations that describe the evolution of a dynamical system, balancing model complexity and accuracy. There has been rapid innovation in system identification across scientific domains, but there remains a gap in the literature for large-scale methodological comparisons that are evaluated on a variety of dynamical systems. In this work, we systematically benchmark sparse regression variants by utilizing the dysts standardized database of chaotic systems. In particular, we demonstrate how this open-source tool can be used to quantitatively compare different methods of system identification. To illustrate how this benchmark can be utilized, we perform a large comparison of four algorithms for solving the sparse identification of nonlinear dynamics (SINDy) optimization problem, finding strong performance of the original algorithm and a recent mixed-integer discrete algorithm. In all cases, we used ensembling to improve the noise robustness of SINDy and provide statistical comparisons. In addition, we show very compelling evidence that the weak SINDy formulation provides significant improvements over the traditional method, even on clean data. Lastly, we investigate how Pareto-optimal models generated from SINDy algorithms depend on the properties of the equations, finding that the performance shows no significant dependence on a set of dynamical properties that quantify the amount of chaos, scale separation, degree of nonlinearity, and the syntactic complexity.
LGJan 30, 2023
Convergence of uncertainty estimates in Ensemble and Bayesian sparse model discoveryL. Mars Gao, Urban Fasel, Steven L. Brunton et al. · uw
Sparse model identification enables nonlinear dynamical system discovery from data. However, the control of false discoveries for sparse model identification is challenging, especially in the low-data and high-noise limit. In this paper, we perform a theoretical study on ensemble sparse model discovery, which shows empirical success in terms of accuracy and robustness to noise. In particular, we analyse the bootstrapping-based sequential thresholding least-squares estimator. We show that this bootstrapping-based ensembling technique can perform a provably correct variable selection procedure with an exponential convergence rate of the error rate. In addition, we show that the ensemble sparse model discovery method can perform computationally efficient uncertainty estimation, compared to expensive Bayesian uncertainty quantification methods via MCMC. We demonstrate the convergence properties and connection to uncertainty quantification in various numerical studies on synthetic sparse linear regression and sparse model discovery. The experiments on sparse linear regression support that the bootstrapping-based sequential thresholding least-squares method has better performance for sparse variable selection compared to LASSO, thresholding least-squares, and bootstrapping-based LASSO. In the sparse model discovery experiment, we show that the bootstrapping-based sequential thresholding least-squares method can provide valid uncertainty quantification, converging to a delta measure centered around the true value with increased sample sizes. Finally, we highlight the improved robustness to hyperparameter selection under shifting noise and sparsity levels of the bootstrapping-based sequential thresholding least-squares method compared to other sparse regression methods.
NAJun 3, 2018
Data-driven identification of parametric partial differential equationsSamuel Rudy, Alessandro Alla, Steven L. Brunton et al.
In this work we present a data-driven method for the discovery of parametric partial differential equations (PDEs), thus allowing one to disambiguate between the underlying evolution equations and their parametric dependencies. Group sparsity is used to ensure parsimonious representations of observed dynamics in the form of a parametric PDE, while also allowing the coefficients to have arbitrary time series, or spatial dependence. This work builds on previous methods for the identification of constant coefficient PDEs, expanding the field to include a new class of equations which until now have eluded machine learning based identification methods. We show that group sequentially thresholded ridge regression outperforms group LASSO in identifying the fewest terms in the PDE along with their parametric dependency. The method is demonstrated on four canonical models with and without the introduction of noise.
LGOct 7, 2023
HyperSINDy: Deep Generative Modeling of Nonlinear Stochastic Governing EquationsMozes Jacobs, Bingni W. Brunton, Steven L. Brunton et al. · uw
The discovery of governing differential equations from data is an open frontier in machine learning. The sparse identification of nonlinear dynamics (SINDy) \citep{brunton_discovering_2016} framework enables data-driven discovery of interpretable models in the form of sparse, deterministic governing laws. Recent works have sought to adapt this approach to the stochastic setting, though these adaptations are severely hampered by the curse of dimensionality. On the other hand, Bayesian-inspired deep learning methods have achieved widespread success in high-dimensional probabilistic modeling via computationally efficient approximate inference techniques, suggesting the use of these techniques for efficient stochastic equation discovery. Here, we introduce HyperSINDy, a framework for modeling stochastic dynamics via a deep generative model of sparse governing equations whose parametric form is discovered from data. HyperSINDy employs a variational encoder to approximate the distribution of observed states and derivatives. A hypernetwork \citep{ha_hypernetworks_2016} transforms samples from this distribution into the coefficients of a differential equation whose sparse form is learned simultaneously using a trainable binary mask \citep{louizos_learning_2018}. Once trained, HyperSINDy generates stochastic dynamics via a differential equation whose coefficients are driven by a Gaussian white noise. In experiments, HyperSINDy accurately recovers ground truth stochastic governing equations, with learned stochasticity scaling to match that of the data. Finally, HyperSINDy provides uncertainty quantification that scales to high-dimensional systems. Taken together, HyperSINDy offers a promising framework for model discovery and uncertainty quantification in real-world systems, integrating sparse equation discovery methods with advances in statistical machine learning and deep generative modeling.
CDJun 4
Uncovering Extreme Event Mechanisms for Prediction and Control with Sensitivity-Balanced ProjectionsNicholas Zolman, Sajeda Mokbel, Samuel E. Otto et al.
Extreme events -- such as earthquakes and coronal mass ejections -- are common in many chaotic dynamical systems, yet are difficult to characterize and predict due to the subtle instability mechanisms that drive them. In this work, we develop an interpretable technique that reveals the underlying mechanisms behind extreme events and uses them to build data-driven forecasts and intuitive event suppression controllers. In particular, we utilize the covariance balancing reduction using adjoint snapshots (CoBRAS) method to identify linear oblique projections that best capture the sensitivity of a quantity of interest and reconstruct the original state. Importantly, we bypass the need for cumbersome adjoint calculations, instead using backpropagation via modern automatically differentiable numerical frameworks. To accommodate spatially localized events, we also introduce a new variant of CoBRAS to obtain local sensitivity-balanced projections. We demonstrate the utility of this approach to characterize extreme events across a diverse set of challenging systems, including turbulent bursts of energy dissipation in the 2D Kolmogorov Flow, spontaneous synchronization in networks of coupled FitzHugh-Nagumo oscillators, and the localized formation of ocean rogue waves from a modified nonlinear Schrödinger equation. For each example, we show that our simple forecast models accurately predict extreme events and that the underlying mechanisms may be used to design control laws to prevent these events. Finally, we demonstrate that by learning a neural network surrogate model of the dynamics directly from data, we may extend this approach to experimental systems and systems that are not natively written in an automatically differentiable programming language.
FLU-DYNMar 28, 2023
The transformative potential of machine learning for experiments in fluid mechanicsRicardo Vinuesa, Steven L. Brunton, Beverley J. McKeon
The field of machine learning has rapidly advanced the state of the art in many fields of science and engineering, including experimental fluid dynamics, which is one of the original big-data disciplines. This perspective will highlight several aspects of experimental fluid mechanics that stand to benefit from progress advances in machine learning, including: 1) augmenting the fidelity and quality of measurement techniques, 2) improving experimental design and surrogate digital-twin models and 3) enabling real-time estimation and control. In each case, we discuss recent success stories and ongoing challenges, along with caveats and limitations, and outline the potential for new avenues of ML-augmented and ML-enabled experimental fluid mechanics.
NAMar 13, 2020
Randomized CP Tensor DecompositionN. Benjamin Erichson, Krithika Manohar, Steven L. Brunton et al.
The CANDECOMP/PARAFAC (CP) tensor decomposition is a popular dimensionality-reduction method for multiway data. Dimensionality reduction is often sought after since many high-dimensional tensors have low intrinsic rank relative to the dimension of the ambient measurement space. However, the emergence of `big data' poses significant computational challenges for computing this fundamental tensor decomposition. By leveraging modern randomized algorithms, we demonstrate that coherent structures can be learned from a smaller representation of the tensor in a fraction of the time. Thus, this simple but powerful algorithm enables one to compute the approximate CP decomposition even for massive tensors. The approximation error can thereby be controlled via oversampling and the computation of power iterations. In addition to theoretical results, several empirical results demonstrate the performance of the proposed algorithm.
LGApr 7, 2022
Neural Implicit Flow: a mesh-agnostic dimensionality reduction paradigm of spatio-temporal dataShaowu Pan, Steven L. Brunton, J. Nathan Kutz
High-dimensional spatio-temporal dynamics can often be encoded in a low-dimensional subspace. Engineering applications for modeling, characterization, design, and control of such large-scale systems often rely on dimensionality reduction to make solutions computationally tractable in real-time. Common existing paradigms for dimensionality reduction include linear methods, such as the singular value decomposition (SVD), and nonlinear methods, such as variants of convolutional autoencoders (CAE). However, these encoding techniques lack the ability to efficiently represent the complexity associated with spatio-temporal data, which often requires variable geometry, non-uniform grid resolution, adaptive meshing, and/or parametric dependencies. To resolve these practical engineering challenges, we propose a general framework called Neural Implicit Flow (NIF) that enables a mesh-agnostic, low-rank representation of large-scale, parametric, spatial-temporal data. NIF consists of two modified multilayer perceptrons (MLPs): (i) ShapeNet, which isolates and represents the spatial complexity, and (ii) ParameterNet, which accounts for any other input complexity, including parametric dependencies, time, and sensor measurements. We demonstrate the utility of NIF for parametric surrogate modeling, enabling the interpretable representation and compression of complex spatio-temporal dynamics, efficient many-spatial-query tasks, and improved generalization performance for sparse reconstruction.
DSDec 14, 2017
Optimized Sampling for Multiscale DynamicsKrithika Manohar, Eurika Kaiser, Steven L. Brunton et al.
The characterization of intermittent, multiscale and transient dynamics using data-driven analysis remains an open challenge. We demonstrate an application of the Dynamic Mode Decomposition (DMD) with sparse sampling for the diagnostic analysis of multiscale physics. The DMD method is an ideal spatiotemporal matrix decomposition that correlates spatial features of computational or experimental data to periodic temporal behavior. DMD can be modified into a multiresolution analysis to separate complex dynamics into a hierarchy of multiresolution timescale components, where each level of the hierarchy divides dynamics into distinct background (slow) and foreground (fast) timescales. The multiresolution DMD is capable of characterizing nonlinear dynamical systems in an equation-free manner by recursively decomposing the state of the system into low-rank spatial modes and their temporal Fourier dynamics. Moreover, these multiresolution DMD modes can be used to determined sparse sampling locations which are nearly optimal for dynamic regime classification and full state reconstruction. Specifically, optimized sensors are efficiently chosen using QR column pivots of the DMD library, thus avoiding an NP-hard selection process. We demonstrate the efficacy of the method on several examples, including global sea-surface temperature data, and show that only a small number of sensors are needed for accurate global reconstructions and classification of El Niño events.
LGJan 25, 2023
Distributed Control of Partial Differential Equations Using Convolutional Reinforcement LearningSebastian Peitz, Jan Stenner, Vikas Chidananda et al.
We present a convolutional framework which significantly reduces the complexity and thus, the computational effort for distributed reinforcement learning control of dynamical systems governed by partial differential equations (PDEs). Exploiting translational invariances, the high-dimensional distributed control problem can be transformed into a multi-agent control problem with many identical, uncoupled agents. Furthermore, using the fact that information is transported with finite velocity in many cases, the dimension of the agents' environment can be drastically reduced using a convolution operation over the state space of the PDE. In this setting, the complexity can be flexibly adjusted via the kernel width or by using a stride greater than one. Moreover, scaling from smaller to larger systems -- or the transfer between different domains -- becomes a straightforward task requiring little effort. We demonstrate the performance of the proposed framework using several PDE examples with increasing complexity, where stabilization is achieved by training a low-dimensional deep deterministic policy gradient agent using minimal computing resources.
LGNov 1, 2023
A Unified Framework to Enforce, Discover, and Promote Symmetry in Machine LearningSamuel E. Otto, Nicholas Zolman, J. Nathan Kutz et al.
Symmetry is present throughout nature and continues to play an increasingly central role in physics and machine learning. Fundamental symmetries, such as Poincaré invariance, allow physical laws discovered in laboratories on Earth to be extrapolated to the farthest reaches of the universe. Symmetry is essential to achieving this extrapolatory power in machine learning applications. For example, translation invariance in image classification allows models with fewer parameters, such as convolutional neural networks, to be trained on smaller data sets and achieve state-of-the-art performance. In this paper, we provide a unifying theoretical and methodological framework for incorporating symmetry into machine learning models in three ways: 1. enforcing known symmetry when training a model; 2. discovering unknown symmetries of a given model or data set; and 3. promoting symmetry during training by learning a model that breaks symmetries within a user-specified group of candidates when there is sufficient evidence in the data. We show that these tasks can be cast within a common mathematical framework whose central object is the Lie derivative associated with fiber-linear Lie group actions on vector bundles. We extend and unify several existing results by showing that enforcing and discovering symmetry are linear-algebraic tasks that are dual with respect to the bilinear structure of the Lie derivative. We also propose a novel way to promote symmetry by introducing a class of convex regularization functions based on the Lie derivative and nuclear norm relaxation to penalize symmetry breaking during training of machine learning models. We explain how these ideas can be applied to a wide range of machine learning models including basis function regression, dynamical systems discovery, neural networks, and neural operators acting on fields.
LGMar 30, 2023
Machine Learning for Partial Differential EquationsSteven L. Brunton, J. Nathan Kutz
Partial differential equations (PDEs) are among the most universal and parsimonious descriptions of natural physical laws, capturing a rich variety of phenomenology and multi-scale physics in a compact and symbolic representation. This review will examine several promising avenues of PDE research that are being advanced by machine learning, including: 1) the discovery of new governing PDEs and coarse-grained approximations for complex natural and engineered systems, 2) learning effective coordinate systems and reduced-order models to make PDEs more amenable to analysis, and 3) representing solution operators and improving traditional numerical algorithms. In each of these fields, we summarize key advances, ongoing challenges, and opportunities for further development.
OCJun 23, 2023
Constrained optimization of sensor placement for nuclear digital twinsNiharika Karnik, Mohammad G. Abdo, Carlos E. Estrada Perez et al.
The deployment of extensive sensor arrays in nuclear reactors is infeasible due to challenging operating conditions and inherent spatial limitations. Strategically placing sensors within defined spatial constraints is essential for the reconstruction of reactor flow fields and the creation of nuclear digital twins. We develop a data-driven technique that incorporates constraints into an optimization framework for sensor placement, with the primary objective of minimizing reconstruction errors under noisy sensor measurements. The proposed greedy algorithm optimizes sensor locations over high-dimensional grids, adhering to user-specified constraints. We demonstrate the efficacy of optimized sensors by exhaustively computing all feasible configurations for a low-dimensional dynamical system. To validate our methodology, we apply the algorithm to the Out-of-Pile Testing and Instrumentation Transient Water Irradiation System (OPTI-TWIST) prototype capsule. This capsule is electrically heated to emulate the neutronics effect of the nuclear fuel. The TWIST prototype that will eventually be inserted in the Transient Reactor Test facility (TREAT) at the Idaho National Laboratory (INL), serves as a practical demonstration. The resulting sensor-based temperature reconstruction within OPTI-TWIST demonstrates minimized error, provides probabilistic bounds for noise-induced uncertainty, and establishes a foundation for communication between the digital twin and the experimental facility.
FLU-DYNOct 17, 2023
Uncovering wall-shear stress dynamics from neural-network enhanced fluid flow measurementsEsther Lagemann, Steven L. Brunton, Christian Lagemann
Friction drag from a turbulent fluid moving past or inside an object plays a crucial role in domains as diverse as transportation, public utility infrastructure, energy technology, and human health. As a direct measure of the shear-induced friction forces, an accurate prediction of the wall-shear stress can contribute to sustainability, conservation of resources, and carbon neutrality in civil aviation as well as enhanced medical treatment of vascular diseases and cancer. Despite such importance for our modern society, we still lack adequate experimental methods to capture the instantaneous wall-shear stress dynamics. In this contribution, we present a holistic approach that derives velocity and wall-shear stress fields with impressive spatial and temporal resolution from flow measurements using a deep optical flow estimator with physical knowledge. The validity and physical correctness of the derived flow quantities is demonstrated with synthetic and real-world experimental data covering a range of relevant fluid flows.
ROSep 20, 2022
Robust, High-Rate Trajectory Tracking on Insect-Scale Soft-Actuated Aerial Robots with Deep-Learned Tube MPCAndrea Tagliabue, Yi-Hsuan Hsiao, Urban Fasel et al.
Accurate and agile trajectory tracking in sub-gram Micro Aerial Vehicles (MAVs) is challenging, as the small scale of the robot induces large model uncertainties, demanding robust feedback controllers, while the fast dynamics and computational constraints prevent the deployment of computationally expensive strategies. In this work, we present an approach for agile and computationally efficient trajectory tracking on the MIT SoftFly, a sub-gram MAV (0.7 grams). Our strategy employs a cascaded control scheme, where an adaptive attitude controller is combined with a neural network policy trained to imitate a trajectory tracking robust tube model predictive controller (RTMPC). The neural network policy is obtained using our recent work, which enables the policy to preserve the robustness of RTMPC, but at a fraction of its computational cost. We experimentally evaluate our approach, achieving position Root Mean Square Errors lower than 1.8 cm even in the more challenging maneuvers, obtaining a 60% reduction in maximum position error compared to our previous work, and demonstrating robustness to large external disturbances
LGMar 19
SINDy-KANs: Sparse identification of non-linear dynamics through Kolmogorov-Arnold networksAmanda A. Howard, Nicholas Zolman, Bruno Jacob et al.
Kolmogorov-Arnold networks (KANs) have arisen as a potential way to enhance the interpretability of machine learning. However, solutions learned by KANs are not necessarily interpretable, in the sense of being sparse or parsimonious. Sparse identification of nonlinear dynamics (SINDy) is a complementary approach that allows for learning sparse equations for dynamical systems from data; however, learned equations are limited by the library. In this work, we present SINDy-KANs, which simultaneously train a KAN and a SINDy-like representation to increase interpretability of KAN representations with SINDy applied at the level of each activation function, while maintaining the function compositions possible through deep KANs. We apply our method to a number of symbolic regression tasks, including dynamical systems, to show accurate equation discovery across a range of systems.
LGNov 6, 2025
Accelerating scientific discovery with the common task frameworkJ. Nathan Kutz, Peter Battaglia, Michael Brenner et al.
Machine learning (ML) and artificial intelligence (AI) algorithms are transforming and empowering the characterization and control of dynamic systems in the engineering, physical, and biological sciences. These emerging modeling paradigms require comparative metrics to evaluate a diverse set of scientific objectives, including forecasting, state reconstruction, generalization, and control, while also considering limited data scenarios and noisy measurements. We introduce a common task framework (CTF) for science and engineering, which features a growing collection of challenge data sets with a diverse set of practical and common objectives. The CTF is a critically enabling technology that has contributed to the rapid advance of ML/AI algorithms in traditional applications such as speech recognition, language processing, and computer vision. There is a critical need for the objective metrics of a CTF to compare the diverse algorithms being rapidly developed and deployed in practice today across science and engineering.
NAMar 16
Trustworthy Koopman Operator Learning: Invariance Diagnostics and Error BoundsGustav Conradie, Nicolas Boullé, Jean-Christophe Loiseau et al.
Koopman operator theory provides a global linear representation of nonlinear dynamics and underpins many data-driven methods. In practice, however, finite-dimensional feature spaces induced by a user-chosen dictionary are rarely invariant, so closure failures and projection errors lead to spurious eigenvalues, misleading Koopman modes, and overconfident forecasts. This paper addresses a central validation problem in data-driven Koopman methods: how to quantify invariance and projection errors for an arbitrary feature space using only snapshot data, and how to use these diagnostics to produce actionable guarantees and guide dictionary refinement? A unified a posteriori methodology is developed for certifying when a Koopman approximation is trustworthy and improving it when it is not. Koopman invariance is quantified using principal angles between a subspace and its Koopman image, yielding principal observables and a principal angle decomposition (PAD), a dynamics-informed alternative to SVD truncation with significantly improved performance. Multi-step error bounds are derived for Koopman and Perron--Frobenius mode decompositions, including RKHS-based pointwise guarantees, and are complemented by Gaussian process expected error surrogates. The resulting toolbox enables validated spectral analysis, certified forecasting, and principled dictionary and kernel learning, demonstrated on chaotic and high-dimensional benchmarks and real-world datasets, including cavity flow and the Pluto--Charon system.
LGMar 16
OpenReservoirComputing: GPU-Accelerated Reservoir Computing in JAXJan Williams, Dima Tretiak, Steven L. Brunton et al.
OpenReservoirComputing (ORC) is a Python library for reservoir computing (RC) written in JAX (Bradbury et al. 2018) and Equinox (Kidger and Garcia 2021). JAX is a Python library for high-performance numerical computing that enables automatic differentiation, just-in-time (JIT) compilation, and GPU/TPU acceleration, while Equinox is a neural network framework for JAX. RC is a form of machine learning that functions by lifting a low-dimensional sequence or signal into a high-dimensional dynamical system and training a simple, linear readout layer from the high-dimensional dynamics back to a lower-dimensional quantity of interest. The most common application of RC is time-series forecasting, where the goal is to predict a signal's future evolution. RC has achieved state-of-the-art performance on this task, particularly when applied to chaotic dynamical systems. In addition, RC approaches can be adapted to perform classification and control tasks. ORC provides both modular components for building custom RC models and built-in models for forecasting, classification, and control. By building on JAX and Equinox, ORC offers GPU acceleration, JIT compilation, and automatic vectorization. These capabilities make prototyping new models faster and enable larger and more powerful reservoir architectures. End-to-end differentiability also enables seamless integration with other deep learning models built with Equinox.
OCJan 11, 2020
Optimal Sensor and Actuator Selection using Balanced Model ReductionKrithika Manohar, J. Nathan Kutz, Steven L. Brunton
Optimal sensor and actuator selection is a central challenge in high-dimensional estimation and control. Nearly all subsequent control decisions are affected by these sensor/actuator locations, and optimal placement amounts to an intractable brute-force search among the combinatorial possibilities. In this work, we exploit balanced model reduction and greedy optimization to efficiently determine sensor and actuator selections that optimize observability and controllability. In particular, we determine locations that optimize scalar measures of observability and controllability via greedy matrix QR pivoting on the dominant modes of the direct and adjoint balancing transformations. Pivoting runtime scales linearly with the state dimension, making this method tractable for high-dimensional systems. The results are demonstrated on the linearized Ginzburg-Landau system, for which our algorithm approximates known optimal placements computed using costly gradient descent methods.
MLDec 16, 2025
From STLS to Projection-based Dictionary Selection in Sparse Regression for System IdentificationHangjun Cho, Fabio V. G. Amaral, Andrei A. Klishin et al.
In this work, we revisit dictionary-based sparse regression, in particular, Sequential Threshold Least Squares (STLS), and propose a score-guided library selection to provide practical guidance for data-driven modeling, with emphasis on SINDy-type algorithms. STLS is an algorithm to solve the $\ell_0$ sparse least-squares problem, which relies on splitting to efficiently solve the least-squares portion while handling the sparse term via proximal methods. It produces coefficient vectors whose components depend on both the projected reconstruction errors, here referred to as the scores, and the mutual coherence of dictionary terms. The first contribution of this work is a theoretical analysis of the score and dictionary-selection strategy. This could be understood in both the original and weak SINDy regime. Second, numerical experiments on ordinary and partial differential equations highlight the effectiveness of score-based screening, improving both accuracy and interpretability in dynamical system identification. These results suggest that integrating score-guided methods to refine the dictionary more accurately may help SINDy users in some cases to enhance their robustness for data-driven discovery of governing equations.
CVAug 29, 2024
Estimating Dynamic Flow Features in Groups of Tracked ObjectsTanner D. Harms, Steven L. Brunton, Beverley J. McKeon
Interpreting motion captured in image sequences is crucial for a wide range of computer vision applications. Typical estimation approaches include optical flow (OF), which approximates the apparent motion instantaneously in a scene, and multiple object tracking (MOT), which tracks the motion of subjects over time. Often, the motion of objects in a scene is governed by some underlying dynamical system which could be inferred by analyzing the motion of groups of objects. Standard motion analyses, however, are not designed to intuit flow dynamics from trajectory data, making such measurements difficult in practice. The goal of this work is to extend gradient-based dynamical systems analyses to real-world applications characterized by complex, feature-rich image sequences with imperfect tracers. The tracer trajectories are tracked using deep vision networks and gradients are approximated using Lagrangian gradient regression (LGR), a tool designed to estimate spatial gradients from sparse data. From gradients, dynamical features such as regions of coherent rotation and transport barriers are identified. The proposed approach is affordably implemented and enables advanced studies including the motion analysis of two distinct object classes in a single image sequence. Two examples of the method are presented on data sets for which standard gradient-based analyses do not apply.
FLU-DYNDec 19, 2025
HydroGym: A Reinforcement Learning Platform for Fluid DynamicsChristian Lagemann, Sajeda Mokbel, Miro Gondrum et al.
Modeling and controlling fluid flows is critical for several fields of science and engineering, including transportation, energy, and medicine. Effective flow control can lead to, e.g., lift increase, drag reduction, mixing enhancement, and noise reduction. However, controlling a fluid faces several significant challenges, including high-dimensional, nonlinear, and multiscale interactions in space and time. Reinforcement learning (RL) has recently shown great success in complex domains, such as robotics and protein folding, but its application to flow control is hindered by a lack of standardized benchmark platforms and the computational demands of fluid simulations. To address these challenges, we introduce HydroGym, a solver-independent RL platform for flow control research. HydroGym integrates sophisticated flow control benchmarks, scalable runtime infrastructure, and state-of-the-art RL algorithms. Our platform includes 42 validated environments spanning from canonical laminar flows to complex three-dimensional turbulent scenarios, validated over a wide range of Reynolds numbers. We provide non-differentiable solvers for traditional RL and differentiable solvers that dramatically improve sample efficiency through gradient-enhanced optimization. Comprehensive evaluation reveals that RL agents consistently discover robust control principles across configurations, such as boundary layer manipulation, acoustic feedback disruption, and wake reorganization. Transfer learning studies demonstrate that controllers learned at one Reynolds number or geometry adapt efficiently to new conditions, requiring approximately 50% fewer training episodes. The HydroGym platform is highly extensible and scalable, providing a framework for researchers in fluid dynamics, machine learning, and control to add environments, surrogate models, and control algorithms to advance science and technology.
LGMay 22
Learning Individual Dynamics from Sparse Cross-Sectional SnapshotsChristian Lagemann, Kai Lagemann, Steven L. Brunton et al.
Predicting how a dynamical unit evolves over time - how an individual ages, an epidemic spreads, or a physical system degrades - typically requires dense longitudinal tracking. When only extremely sparse or entirely cross-sectional data is available, inferring individualized, continuous-time trajectories is fundamentally ill-posed. Existing methods force a strict compromise: sequence models (e.g. latent ODEs) require dense longitudinal data, while cross-sectional methods (e.g. optimal transport, flow matching-based) map aggregate populations, losing individual dynamics. In this paper, we demonstrate that this dichotomy can be broken. We introduce CADENCE, a principled probabilistic framework that recovers continuous individual trajectories from isolated snapshots by anchoring latent dynamics to static, individual-level contexts. We provide novel identifiability guarantees for single-timepoint trajectory inference. By combining a score-based spatial encoder (bijective Probability Flow ODE) to eliminate diffeomorphic ambiguities with a Soft Mixture-of-Experts (SMoE) router, we show that individual dynamical parameters and routing function are jointly identifiable. Across a suite of benchmarks spanning physical systems to real-world biological data, CADENCE, trained strictly on extremely sparse snapshots with context structure, matches or exceeds the performance of state-of-the-art sequential models trained on dense, full-trajectory data.
AIFeb 26
Agentic Exploration of PDE Spaces using Latent Foundation Models for Parameterized SimulationsAbhijeet Vishwasrao, Francisco Giral, Mahmoud Golestanian et al.
Flow physics and more broadly physical phenomena governed by partial differential equations (PDEs), are inherently continuous, high-dimensional and often chaotic in nature. Traditionally, researchers have explored these rich spatiotemporal PDE solution spaces using laboratory experiments and/or computationally expensive numerical simulations. This severely limits automated and large-scale exploration, unlike domains such as drug discovery or materials science, where discrete, tokenizable representations naturally interface with large language models. We address this by coupling multi-agent LLMs with latent foundation models (LFMs), a generative model over parametrised simulations, that learns explicit, compact and disentangled latent representations of flow fields, enabling continuous exploration across governing PDE parameters and boundary conditions. The LFM serves as an on-demand surrogate simulator, allowing agents to query arbitrary parameter configurations at negligible cost. A hierarchical agent architecture orchestrates exploration through a closed loop of hypothesis, experimentation, analysis and verification, with a tool-modular interface requiring no user support. Applied to flow past tandem cylinders at Re = 500, the framework autonomously evaluates over 1,600 parameter-location pairs and discovers divergent scaling laws: a regime-dependent two-mode structure for minimum displacement thickness and a robust linear scaling for maximum momentum thickness, with both landscapes exhibiting a dual-extrema structure that emerges at the near-wake to co-shedding regime transition. The coupling of the learned physical representations with agentic reasoning establishes a general paradigm for automated scientific discovery in PDE-governed systems.
LGMay 7
AeroJEPA: Learning Semantic Latent Representations for Scalable 3D Aerodynamic Field ModelingFrancisco Giral, Abhijeet Vishwasrao, Andrea Arroyo Ramo et al.
Aerodynamic surrogate models are increasingly used to replace repeated high-fidelity CFD evaluations in many-query design settings, but current approaches still face two important limitations: they often scale poorly to the very large fields arising in realistic 3D aerodynamics, and they rarely produce latent representations that are directly useful for analysis and design. We introduce AeroJEPA, a Joint-Embedding Predictive Architecture for aerodynamic field modeling that addresses both issues. Rather than predicting the full flow field directly from geometry, AeroJEPA predicts a target latent representation of the flow from a context latent representation of the geometry and operating conditions, and optionally reconstructs the field through a continuous implicit decoder. This formulation decouples latent prediction from field resolution while encouraging the latent space to organize semantically. We evaluate AeroJEPA on two complementary datasets: HiLiftAeroML, which stresses the method in a high-fidelity regime with extremely large boundary-layer fields, and SuperWing, which tests large-scale generalization and latent-space optimization over a broad family of transonic wings. Across these benchmarks, AeroJEPA is competitive as a continuous surrogate for aerodynamic fields, scales naturally to high-resolution outputs, and learns context and predicted latents that encode geometry and aerodynamic quantities not used directly as supervision. We further show that the resulting latent space supports controlled interpolation, linear probing, concept-vector arithmetic, and a constrained design latent-optimization experiment. These results suggest that predictive latent learning is a promising direction for scalable and design-meaningful aerodynamic surrogate modeling.
FLU-DYNSep 5, 2024
A deep learning approach to wall-shear stress quantification: From numerical training to zero-shot experimental applicationEsther Lagemann, Julia Roeb, Steven L. Brunton et al.
The accurate quantification of wall-shear stress dynamics is of substantial importance for various applications in fundamental and applied research, spanning areas from human health to aircraft design and optimization. Despite significant progress in experimental measurement techniques and post-processing algorithms, temporally resolved wall-shear stress dynamics with adequate spatial resolution and within a suitable spatial domain remain an elusive goal. To address this gap, we introduce a deep learning architecture that ingests wall-parallel velocity fields from the logarithmic layer of turbulent wall-bounded flows and outputs the corresponding 2D wall-shear stress fields with identical spatial resolution and domain size. From a physical perspective, our framework acts as a surrogate model encapsulating the various mechanisms through which highly energetic outer-layer flow structures influence the governing wall-shear stress dynamics. The network is trained in a supervised fashion on a unified dataset comprising direct numerical simulations of statistically 1D turbulent channel and spatially developing turbulent boundary layer flows at friction Reynolds numbers ranging from 390 to 1,500. We demonstrate a zero-shot applicability to experimental velocity fields obtained from Particle-Image Velocimetry measurements and verify the physical accuracy of the wall-shear stress estimates with synchronized wall-shear stress measurements using the Micro-Pillar Shear-Stress Sensor for Reynolds numbers up to 2,000. In summary, the presented framework lays the groundwork for extracting inaccessible experimental wall-shear stress information from readily available velocity measurements and thus, facilitates advancements in a variety of experimental applications.
SPFeb 20, 2021Code
PySensors: A Python Package for Sparse Sensor PlacementBrian M. de Silva, Krithika Manohar, Emily Clark et al.
PySensors is a Python package for selecting and placing a sparse set of sensors for classification and reconstruction tasks. Specifically, PySensors implements algorithms for data-driven sparse sensor placement optimization for reconstruction (SSPOR) and sparse sensor placement optimization for classification (SSPOC). In this work we provide a brief description of the mathematical algorithms and theory for sparse sensor optimization, along with an overview and demonstration of the features implemented in PySensors (with code examples). We also include practical advice for user and a list of potential extensions to PySensors. Software is available at https://github.com/dynamicslab/pysensors.
AIJan 9
Explainable AI: Learning from the LearnersRicardo Vinuesa, Steven L. Brunton, Gianmarco Mengaldo
Artificial intelligence now outperforms humans in several scientific and engineering tasks, yet its internal representations often remain opaque. In this Perspective, we argue that explainable artificial intelligence (XAI), combined with causal reasoning, enables {\it learning from the learners}. Focusing on discovery, optimization and certification, we show how the combination of foundation models and explainability methods allows the extraction of causal mechanisms, guides robust design and control, and supports trust and accountability in high-stakes applications. We discuss challenges in faithfulness, generalization and usability of explanations, and propose XAI as a unifying framework for human-AI collaboration in science and engineering.
AIMar 4, 2024
Koopman-Assisted Reinforcement LearningPreston Rozwood, Edward Mehrez, Ludger Paehler et al.
The Bellman equation and its continuous form, the Hamilton-Jacobi-Bellman (HJB) equation, are ubiquitous in reinforcement learning (RL) and control theory. However, these equations quickly become intractable for systems with high-dimensional states and nonlinearity. This paper explores the connection between the data-driven Koopman operator and Markov Decision Processes (MDPs), resulting in the development of two new RL algorithms to address these limitations. We leverage Koopman operator techniques to lift a nonlinear system into new coordinates where the dynamics become approximately linear, and where HJB-based methods are more tractable. In particular, the Koopman operator is able to capture the expectation of the time evolution of the value function of a given system via linear dynamics in the lifted coordinates. By parameterizing the Koopman operator with the control actions, we construct a ``Koopman tensor'' that facilitates the estimation of the optimal value function. Then, a transformation of Bellman's framework in terms of the Koopman tensor enables us to reformulate two max-entropy RL algorithms: soft value iteration and soft actor-critic (SAC). This highly flexible framework can be used for deterministic or stochastic systems as well as for discrete or continuous-time dynamics. Finally, we show that these Koopman Assisted Reinforcement Learning (KARL) algorithms attain state-of-the-art (SOTA) performance with respect to traditional neural network-based SAC and linear quadratic regulator (LQR) baselines on four controlled dynamical systems: a linear state-space system, the Lorenz system, fluid flow past a cylinder, and a double-well potential with non-isotropic stochastic forcing.
LGMay 7, 2024
Decoding complexity: how machine learning is redefining scientific discoveryRicardo Vinuesa, Paola Cinnella, Jean Rabault et al. · uw
As modern scientific instruments generate vast amounts of data and the volume of information in the scientific literature continues to grow, machine learning (ML) has become an essential tool for organising, analysing, and interpreting these complex datasets. This paper explores the transformative role of ML in accelerating breakthroughs across a range of scientific disciplines. By presenting key examples -- such as brain mapping and exoplanet detection -- we demonstrate how ML is reshaping scientific research. We also explore different scenarios where different levels of knowledge of the underlying phenomenon are available, identifying strategies to overcome limitations and unlock the full potential of ML. Despite its advances, the growing reliance on ML poses challenges for research applications and rigorous validation of discoveries. We argue that even with these challenges, ML is poised to disrupt traditional methodologies and advance the boundaries of knowledge by enabling researchers to tackle increasingly complex problems. Thus, the scientific community can move beyond the necessary traditional oversimplifications to embrace the full complexity of natural systems, ultimately paving the way for interdisciplinary breakthroughs and innovative solutions to humanity's most pressing challenges.
LGFeb 14, 2024
Multi-Hierarchical Surrogate Learning for Structural Dynamical Crash Simulations Using Graph Convolutional Neural NetworksJonas Kneifl, Jörg Fehr, Steven L. Brunton et al.
Crash simulations play an essential role in improving vehicle safety, design optimization, and injury risk estimation. Unfortunately, numerical solutions of such problems using state-of-the-art high-fidelity models require significant computational effort. Conventional data-driven surrogate modeling approaches create low-dimensional embeddings for evolving the dynamics in order to circumvent this computational effort. Most approaches directly operate on high-resolution data obtained from numerical discretization, which is both costly and complicated for mapping the flow of information over large spatial distances. Furthermore, working with a fixed resolution prevents the adaptation of surrogate models to environments with variable computing capacities, different visualization resolutions, and different accuracy requirements. We thus propose a multi-hierarchical framework for structurally creating a series of surrogate models for a kart frame, which is a good proxy for industrial-relevant crash simulations, at different levels of resolution. For multiscale phenomena, macroscale features are captured on a coarse surrogate, whereas microscale effects are resolved by finer ones. The learned behavior of the individual surrogates is passed from coarse to finer levels through transfer learning. In detail, we perform a mesh simplification on the kart model to obtain multi-resolution representations of it. We then train a graph-convolutional neural network-based surrogate that learns parameter-dependent low-dimensional latent dynamics on the coarsest representation. Subsequently, another, similarly structured surrogate is trained on the residual of the first surrogate using a finer resolution. This step can be repeated multiple times. By doing so, we construct multiple surrogates for the same system with varying hardware requirements and increasing accuracy.
MLJul 26, 2025
Sparse-mode Dynamic Mode Decomposition for Disambiguating Local and Global StructuresSara M. Ichinaga, Steven L. Brunton, Aleksandr Y. Aravkin et al.
The dynamic mode decomposition (DMD) is a data-driven approach that extracts the dominant features from spatiotemporal data. In this work, we introduce sparse-mode DMD, a new variant of the optimized DMD framework that specifically leverages sparsity-promoting regularization in order to approximate DMD modes which have localized spatial structure. The algorithm maintains the noise-robust properties of optimized DMD while disambiguating between modes which are spatially local versus global in nature. In many applications, such modes are associated with discrete and continuous spectra respectively, thus allowing the algorithm to explicitly construct, in an unsupervised manner, the distinct portions of the spectrum. We demonstrate this by analyzing synthetic and real-world systems, including examples from optical waveguides, quantum mechanics, and sea surface temperature data.
LGJan 24, 2025
Reduced-order modeling and classification of hydrodynamic pattern formation in gravure printingPauline Rothmann-Brumm, Steven L. Brunton, Isabel Scherl
Hydrodynamic pattern formation phenomena in printing and coating processes are still not fully understood. However, fundamental understanding is essential to achieve high-quality printed products and to tune printed patterns according to the needs of a specific application like printed electronics, graphical printing, or biomedical printing. The aim of the paper is to develop an automated pattern classification algorithm based on methods from supervised machine learning and reduced-order modeling. We use the HYPA-p dataset, a large image dataset of gravure-printed images, which shows various types of hydrodynamic pattern formation phenomena. It enables the correlation of printing process parameters and resulting printed patterns for the first time. 26880 images of the HYPA-p dataset have been labeled by a human observer as dot patterns, mixed patterns, or finger patterns; 864000 images (97%) are unlabeled. A singular value decomposition (SVD) is used to find the modes of the labeled images and to reduce the dimensionality of the full dataset by truncation and projection. Selected machine learning classification techniques are trained on the reduced-order data. We investigate the effect of several factors, including classifier choice, whether or not fast Fourier transform (FFT) is used to preprocess the labeled images, data balancing, and data normalization. The best performing model is a k-nearest neighbor (kNN) classifier trained on unbalanced, FFT-transformed data with a test error of 3%, which outperforms a human observer by 7%. Data balancing slightly increases the test error of the kNN-model to 5%, but also increases the recall of the mixed class from 90% to 94%. Finally, we demonstrate how the trained models can be used to predict the pattern class of unlabeled images and how the predictions can be correlated to the printing process parameters, in the form of regime maps.
CVNov 13, 2024
Computed tomography using meta-opticsMaksym Zhelyeznuyakov, Johannes E. Fröch, Shane Colburn et al.
Computer vision tasks require processing large amounts of data to perform image classification, segmentation, and feature extraction. Optical preprocessors can potentially reduce the number of floating point operations required by computer vision tasks, enabling low-power and low-latency operation. However, existing optical preprocessors are mostly learned and hence strongly depend on the training data, and thus lack universal applicability. In this paper, we present a metaoptic imager, which implements the Radon transform obviating the need for training the optics. High quality image reconstruction with a large compression ratio of 0.6% is presented through the use of the Simultaneous Algebraic Reconstruction Technique. Image classification with 90% accuracy is presented on an experimentally measured Radon dataset through neural network trained on digitally transformed images.
LGMar 14, 2024
SINDy-RL: Interpretable and Efficient Model-Based Reinforcement LearningNicholas Zolman, Christian Lagemann, Urban Fasel et al.
Deep reinforcement learning (DRL) has shown significant promise for uncovering sophisticated control policies that interact in complex environments, such as stabilizing a tokamak fusion reactor or minimizing the drag force on an object in a fluid flow. However, DRL requires an abundance of training examples and may become prohibitively expensive for many applications. In addition, the reliance on deep neural networks often results in an uninterpretable, black-box policy that may be too computationally expensive to use with certain embedded systems. Recent advances in sparse dictionary learning, such as the sparse identification of nonlinear dynamics (SINDy), have shown promise for creating efficient and interpretable data-driven models in the low-data regime. In this work we introduce SINDy-RL, a unifying framework for combining SINDy and DRL to create efficient, interpretable, and trustworthy representations of the dynamics model, reward function, and control policy. We demonstrate the effectiveness of our approaches on benchmark control environments and flow control problems, including gust mitigation on a 3D NACA 0012 airfoil at $Re=1000$. SINDy-RL achieves comparable performance to modern DRL algorithms using significantly fewer interactions in the environment and results in an interpretable control policy orders of magnitude smaller than a DRL policy.
LGSep 1, 2023
Multi-fidelity reduced-order surrogate modelingPaolo Conti, Mengwu Guo, Andrea Manzoni et al.
High-fidelity numerical simulations of partial differential equations (PDEs) given a restricted computational budget can significantly limit the number of parameter configurations considered and/or time window evaluated for modeling a given system. Multi-fidelity surrogate modeling aims to leverage less accurate, lower-fidelity models that are computationally inexpensive in order to enhance predictive accuracy when high-fidelity data are limited or scarce. However, low-fidelity models, while often displaying important qualitative spatio-temporal features, fail to accurately capture the onset of instability and critical transients observed in the high-fidelity models, making them impractical as surrogate models. To address this shortcoming, we present a new data-driven strategy that combines dimensionality reduction with multi-fidelity neural network surrogates. The key idea is to generate a spatial basis by applying the classical proper orthogonal decomposition (POD) to high-fidelity solution snapshots, and approximate the dynamics of the reduced states - time-parameter-dependent expansion coefficients of the POD basis - using a multi-fidelity long-short term memory (LSTM) network. By mapping low-fidelity reduced states to their high-fidelity counterpart, the proposed reduced-order surrogate model enables the efficient recovery of full solution fields over time and parameter variations in a non-intrusive manner. The generality and robustness of this method is demonstrated by a collection of parametrized, time-dependent PDE problems where the low-fidelity model can be defined by coarser meshes and/or time stepping, as well as by misspecified physical features. Importantly, the onset of instabilities and transients are well captured by this surrogate modeling technique.
MLFeb 11, 2022
Bounded nonlinear forecasts of partially observed geophysical systems with physics-constrained deep learningSaid Ouala, Steven L. Brunton, Ananda Pascual et al.
The complexity of real-world geophysical systems is often compounded by the fact that the observed measurements depend on hidden variables. These latent variables include unresolved small scales and/or rapidly evolving processes, partially observed couplings, or forcings in coupled systems. This is the case in ocean-atmosphere dynamics, for which unknown interior dynamics can affect surface observations. The identification of computationally-relevant representations of such partially-observed and highly nonlinear systems is thus challenging and often limited to short-term forecast applications. Here, we investigate the physics-constrained learning of implicit dynamical embeddings, leveraging neural ordinary differential equation (NODE) representations. A key objective is to constrain their boundedness, which promotes the generalization of the learned dynamics to arbitrary initial condition. The proposed architecture is implemented within a deep learning framework, and its relevance is demonstrated with respect to state-of-the-art schemes for different case-studies representative of geophysical dynamics.
LGFeb 9, 2022
Dimensionally Consistent Learning with Buckingham PiJoseph Bakarji, Jared Callaham, Steven L. Brunton et al.
In the absence of governing equations, dimensional analysis is a robust technique for extracting insights and finding symmetries in physical systems. Given measurement variables and parameters, the Buckingham Pi theorem provides a procedure for finding a set of dimensionless groups that spans the solution space, although this set is not unique. We propose an automated approach using the symmetric and self-similar structure of available measurement data to discover the dimensionless groups that best collapse this data to a lower dimensional space according to an optimal fit. We develop three data-driven techniques that use the Buckingham Pi theorem as a constraint: (i) a constrained optimization problem with a non-parametric input-output fitting function, (ii) a deep learning algorithm (BuckiNet) that projects the input parameter space to a lower dimension in the first layer, and (iii) a technique based on sparse identification of nonlinear dynamics (SINDy) to discover dimensionless equations whose coefficients parameterize the dynamics. We explore the accuracy, robustness and computational complexity of these methods as applied to three example problems: a bead on a rotating hoop, a laminar boundary layer, and Rayleigh-Bénard convection.
LGJan 13, 2022
Discovering Governing Equations from Partial Measurements with Deep Delay AutoencodersJoseph Bakarji, Kathleen Champion, J. Nathan Kutz et al.
A central challenge in data-driven model discovery is the presence of hidden, or latent, variables that are not directly measured but are dynamically important. Takens' theorem provides conditions for when it is possible to augment these partial measurements with time delayed information, resulting in an attractor that is diffeomorphic to that of the original full-state system. However, the coordinate transformation back to the original attractor is typically unknown, and learning the dynamics in the embedding space has remained an open challenge for decades. Here, we design a custom deep autoencoder network to learn a coordinate transformation from the delay embedded space into a new space where it is possible to represent the dynamics in a sparse, closed form. We demonstrate this approach on the Lorenz, Rössler, and Lotka-Volterra systems, learning dynamics from a single measurement variable. As a challenging example, we learn a Lorenz analogue from a single scalar variable extracted from a video of a chaotic waterwheel experiment. The resulting modeling framework combines deep learning to uncover effective coordinates and the sparse identification of nonlinear dynamics (SINDy) for interpretable modeling. Thus, we show that it is possible to simultaneously learn a closed-form model and the associated coordinate system for partially observed dynamics.
SYNov 12, 2021
PySINDy: A comprehensive Python package for robust sparse system identificationAlan A. Kaptanoglu, Brian M. de Silva, Urban Fasel et al.
Automated data-driven modeling, the process of directly discovering the governing equations of a system from data, is increasingly being used across the scientific community. PySINDy is a Python package that provides tools for applying the sparse identification of nonlinear dynamics (SINDy) approach to data-driven model discovery. In this major update to PySINDy, we implement several advanced features that enable the discovery of more general differential equations from noisy and limited data. The library of candidate terms is extended for the identification of actuated systems, partial differential equations (PDEs), and implicit differential equations. Robust formulations, including the integral form of SINDy and ensembling techniques, are also implemented to improve performance for real-world data. Finally, we provide a range of new optimization algorithms, including several sparse regression techniques and algorithms to enforce and promote inequality constraints and stability. Together, these updates enable entirely new SINDy model discovery capabilities that have not been reported in the literature, such as constrained PDE identification and ensembling with different sparse regression optimizers.
DSOct 28, 2021
Deeptime: a Python library for machine learning dynamical models from time series dataMoritz Hoffmann, Martin Scherer, Tim Hempel et al.
Generation and analysis of time-series data is relevant to many quantitative fields ranging from economics to fluid mechanics. In the physical sciences, structures such as metastable and coherent sets, slow relaxation processes, collective variables dominant transition pathways or manifolds and channels of probability flow can be of great importance for understanding and characterizing the kinetic, thermodynamic and mechanistic properties of the system. Deeptime is a general purpose Python library offering various tools to estimate dynamical models based on time-series data including conventional linear learning methods, such as Markov state models (MSMs), Hidden Markov Models and Koopman models, as well as kernel and deep learning approaches such as VAMPnets and deep MSMs. The library is largely compatible with scikit-learn, having a range of Estimator classes for these different models, but in contrast to scikit-learn also provides deep Model classes, e.g. in the case of an MSM, which provide a multitude of analysis methods to compute interesting thermodynamic, kinetic and dynamical quantities, such as free energies, relaxation times and transition paths. The library is designed for ease of use but also easily maintainable and extensible code. In this paper we introduce the main features and structure of the deeptime software.
FLU-DYNOct 5, 2021
Enhancing Computational Fluid Dynamics with Machine LearningRicardo Vinuesa, Steven L. Brunton
Machine learning is rapidly becoming a core technology for scientific computing, with numerous opportunities to advance the field of computational fluid dynamics. In this Perspective, we highlight some of the areas of highest potential impact, including to accelerate direct numerical simulations, to improve turbulence closure modeling, and to develop enhanced reduced-order models. We also discuss emerging areas of machine learning that are promising for computational fluid dynamics, as well as some potential limitations that should be taken into account.
FLU-DYNOct 5, 2021
Applying Machine Learning to Study Fluid MechanicsSteven L. Brunton
This paper provides a short overview of how to use machine learning to build data-driven models in fluid mechanics. The process of machine learning is broken down into five stages: (1) formulating a problem to model, (2) collecting and curating training data to inform the model, (3) choosing an architecture with which to represent the model, (4) designing a loss function to assess the performance of the model, and (5) selecting and implementing an optimization algorithm to train the model. At each stage, we discuss how prior physical knowledge may be embedding into the process, with specific examples from the field of fluid mechanics.
LGJun 9, 2021
Learning normal form autoencoders for data-driven discovery of universal,parameter-dependent governing equationsManu Kalia, Steven L. Brunton, Hil G. E. Meijer et al.
Complex systems manifest a small number of instabilities and bifurcations that are canonical in nature, resulting in universal pattern forming characteristics as a function of some parametric dependence. Such parametric instabilities are mathematically characterized by their universal un-foldings, or normal form dynamics, whereby a parsimonious model can be used to represent the dynamics. Although center manifold theory guarantees the existence of such low-dimensional normal forms, finding them has remained a long standing challenge. In this work, we introduce deep learning autoencoders to discover coordinate transformations that capture the underlying parametric dependence of a dynamical system in terms of its canonical normal form, allowing for a simple representation of the parametric dependence and bifurcation structure. The autoencoder constrains the latent variable to adhere to a given normal form, thus allowing it to learn the appropriate coordinate transformation. We demonstrate the method on a number of example problems, showing that it can capture a diverse set of normal forms associated with Hopf, pitchfork, transcritical and/or saddle node bifurcations. This method shows how normal forms can be leveraged as canonical and universal building blocks in deep learning approaches for model discovery and reduced-order modeling.
SPApr 3, 2021
Extraction of instantaneous frequencies and amplitudes in nonstationary time-series dataDaniel E. Shea, Rajiv Giridharagopal, David S. Ginger et al.
Time-series analysis is critical for a diversity of applications in science and engineering. By leveraging the strengths of modern gradient descent algorithms, the Fourier transform, multi-resolution analysis, and Bayesian spectral analysis, we propose a data-driven approach to time-frequency analysis that circumvents many of the shortcomings of classic approaches, including the extraction of nonstationary signals with discontinuities in their behavior. The method introduced is equivalent to a {\em nonstationary Fourier mode decomposition} (NFMD) for nonstationary and nonlinear temporal signals, allowing for the accurate identification of instantaneous frequencies and their amplitudes. The method is demonstrated on a diversity of time-series data, including on data from cantilever-based electrostatic force microscopy to quantify the time-dependent evolution of charging dynamics at the nanoscale.
DSApr 1, 2021
Deep Learning of Conjugate MappingsJason J. Bramburger, Steven L. Brunton, J. Nathan Kutz
Despite many of the most common chaotic dynamical systems being continuous in time, it is through discrete time mappings that much of the understanding of chaos is formed. Henri Poincaré first made this connection by tracking consecutive iterations of the continuous flow with a lower-dimensional, transverse subspace. The mapping that iterates the dynamics through consecutive intersections of the flow with the subspace is now referred to as a Poincaré map, and it is the primary method available for interpreting and classifying chaotic dynamics. Unfortunately, in all but the simplest systems, an explicit form for such a mapping remains outstanding. This work proposes a method for obtaining explicit Poincaré mappings by using deep learning to construct an invertible coordinate transformation into a conjugate representation where the dynamics are governed by a relatively simple chaotic mapping. The invertible change of variable is based on an autoencoder, which allows for dimensionality reduction, and has the advantage of classifying chaotic systems using the equivalence relation of topological conjugacies. Indeed, the enforcement of topological conjugacies is the critical neural network regularization for learning the coordinate and dynamics pairing. We provide expository applications of the method to low-dimensional systems such as the Rössler and Lorenz systems, while also demonstrating the utility of the method on infinite-dimensional systems, such as the Kuramoto--Sivashinsky equation.