Geometric model fitting is a challenging but fundamental computer vision problem. Recently, quantum optimization has been shown to enhance robust fitting for the case of a single model, while leaving the question of multi-model fitting open. In response to this challenge, this paper shows that the latter case can significantly benefit from quantum hardware and proposes the first quantum approach to multi-model fitting (MMF). We formulate MMF as a problem that can be efficiently sampled by modern adiabatic quantum computers without the relaxation of the objective function. We also propose an iterative and decomposed version of our method, which supports real-world-sized problems. The experimental evaluation demonstrates promising results on a variety of datasets. The source code is available at: https://github.com/FarinaMatteo/qmmf.
State-of-the-art machine-learning-based models are a popular choice for modeling and forecasting energy behavior in buildings because given enough data, they are good at finding spatiotemporal patterns and structures even in scenarios where the complexity prohibits analytical descriptions. However, their architecture typically does not hold physical correspondence to mechanistic structures linked with governing physical phenomena. As a result, their ability to successfully generalize for unobserved timesteps depends on the representativeness of the dynamics underlying the observed system in the data, which is difficult to guarantee in real-world engineering problems such as control and energy management in digital twins. In response, we present a framework that combines lumped-parameter models in the form of linear time-invariant (LTI) state-space models (SSMs) with unsupervised reduced-order modeling in a subspace-based domain adaptation (SDA) framework. SDA is a type of transfer-learning (TL) technique, typically adopted for exploiting labeled data from one domain to predict in a different but related target domain for which labeled data is limited. We introduce a novel SDA approach where instead of labeled data, we leverage the geometric structure of the LTI SSM governed by well-known heat transfer ordinary differential equations to forecast for unobserved timesteps beyond observed measurement data. Fundamentally, our approach geometrically aligns the physics-derived and data-derived embedded subspaces closer together. In this initial exploration, we evaluate the physics-based SDA framework on a demonstrative heat conduction scenario by varying the thermophysical properties of the source and target systems to demonstrate the transferability of mechanistic models from a physics-based domain to a data domain.
An extreme event is a sudden and violent change in the state of a nonlinear system. In fluid dynamics, extreme events can have adverse effects on the system's optimal design and operability, which calls for accurate methods for their prediction and control. In this paper, we propose a data-driven methodology for the prediction and control of extreme events in a chaotic shear flow. The approach is based on echo state networks, which are a type of reservoir computing that learn temporal correlations within a time-dependent dataset. The objective is five-fold. First, we exploit ad-hoc metrics from binary classification to analyse (i) how many of the extreme events predicted by the network actually occur in the test set (precision), and (ii) how many extreme events are missed by the network (recall). We apply a principled strategy for optimal hyperparameter selection, which is key to the networks' performance. Second, we focus on the time-accurate prediction of extreme events. We show that echo state networks are able to predict extreme events well beyond the predictability time, i.e., up to more than five Lyapunov times. Third, we focus on the long-term prediction of extreme events from a statistical point of view. By training the networks with datasets that contain non-converged statistics, we show that the networks are able to learn and extrapolate the flow's long-term statistics. In other words, the networks are able to extrapolate in time from relatively short time series. Fourth, we design a simple and effective control strategy to prevent extreme events from occurring. The control strategy decreases the occurrence of extreme events up to one order of magnitude with respect to the uncontrolled system. Finally, we analyse the robustness of the results for a range of Reynolds numbers. We show that the networks perform well across a wide range of regimes.
In the absence of high-resolution samples, super-resolution of sparse observations on dynamical systems is a challenging problem with wide-reaching applications in experimental settings. We showcase the application of physics-informed convolutional neural networks for super-resolution of sparse observations on grids. Results are shown for the chaotic-turbulent Kolmogorov flow, demonstrating the potential of this method for resolving finer scales of turbulence when compared with classic interpolation methods, and thus effectively reconstructing missing physics.
The dynamics of a turbulent flow tend to occupy only a portion of the phase space at a statistically stationary regime. From a dynamical systems point of view, this portion is the attractor. The knowledge of the turbulent attractor is useful for two purposes, at least: (i) We can gain physical insight into turbulence (what is the shape and geometry of the attractor?), and (ii) it provides the minimal number of degrees of freedom to accurately describe the turbulent dynamics. Autoencoders enable the computation of an optimal latent space, which is a low-order representation of the dynamics. If properly trained and correctly designed, autoencoders can learn an approximation of the turbulent attractor, as shown by Doan, Racca and Magri (2022). In this paper, we theoretically interpret the transformations of an autoencoder. First, we remark that the latent space is a curved manifold with curvilinear coordinates, which can be analyzed with simple tools from Riemann geometry. Second, we characterize the geometrical properties of the latent space. We mathematically derive the metric tensor, which provides a mathematical description of the manifold. Third, we propose a method -- proper latent decomposition (PLD) -- that generalizes proper orthogonal decomposition of turbulent flows on the autoencoder latent space. This decomposition finds the dominant directions in the curved latent space. This theoretical work opens up computational opportunities for interpreting autoencoders and creating reduced-order models of turbulent flows.
We present the Physics-Informed Long Short-Term Memory (PI-LSTM) network to reconstruct and predict the evolution of unmeasured variables in a chaotic system. The training is constrained by a regularization term, which penalizes solutions that violate the system's governing equations. The network is showcased on the Lorenz-96 model, a prototypical chaotic dynamical system, for a varying number of variables to reconstruct. First, we show the PI-LSTM architecture and explain how to constrain the differential equations, which is a non-trivial task in LSTMs. Second, the PI-LSTM is numerically evaluated in the long-term autonomous evolution to study its ergodic properties. We show that it correctly predicts the statistics of the unmeasured variables, which cannot be achieved without the physical constraint. Third, we compute the Lyapunov exponents of the network to infer the key stability properties of the chaotic system. For reconstruction purposes, adding the physics-informed loss qualitatively enhances the dynamical behaviour of the network, compared to a data-driven only training. This is quantified by the agreement of the Lyapunov exponents. This work opens up new opportunities for state reconstruction and learning of the dynamics of nonlinear systems.
Turbulence is characterised by chaotic dynamics and a high-dimensional state space, which make this phenomenon challenging to predict. However, turbulent flows are often characterised by coherent spatiotemporal structures, such as vortices or large-scale modes, which can help obtain a latent description of turbulent flows. However, current approaches are often limited by either the need to use some form of thresholding on quantities defining the isosurfaces to which the flow structures are associated or the linearity of traditional modal flow decomposition approaches, such as those based on proper orthogonal decomposition. This problem is exacerbated in flows that exhibit extreme events, which are rare and sudden changes in a turbulent state. The goal of this paper is to obtain an efficient and accurate reduced-order latent representation of a turbulent flow that exhibits extreme events. Specifically, we employ a three-dimensional multiscale convolutional autoencoder (CAE) to obtain such latent representation. We apply it to a three-dimensional turbulent flow. We show that the Multiscale CAE is efficient, requiring less than 10% degrees of freedom than proper orthogonal decomposition for compressing the data and is able to accurately reconstruct flow states related to extreme events. The proposed deep learning architecture opens opportunities for nonlinear reduced-order modeling of turbulent flows from data.
The spatiotemporal dynamics of turbulent flows is chaotic and difficult to predict. This makes the design of accurate and stable reduced-order models challenging. The overarching objective of this paper is to propose a nonlinear decomposition of the turbulent state for a reduced-order representation of the dynamics. We divide the turbulent flow into a spatial problem and a temporal problem. First, we compute the latent space, which is the manifold onto which the turbulent dynamics live (i.e., it is a numerical approximation of the turbulent attractor). The latent space is found by a series of nonlinear filtering operations, which are performed by a convolutional autoencoder (CAE). The CAE provides the decomposition in space. Second, we predict the time evolution of the turbulent state in the latent space, which is performed by an echo state network (ESN). The ESN provides the decomposition in time. Third, by assembling the CAE and the ESN, we obtain an autonomous dynamical system: the convolutional autoncoder echo state network (CAE-ESN). This is the reduced-order model of the turbulent flow. We test the CAE-ESN on a two-dimensional flow. We show that, after training, the CAE-ESN (i) finds a latent-space representation of the turbulent flow that has less than 1% of the degrees of freedom than the physical space; (ii) time-accurately and statistically predicts the flow in both quasiperiodic and turbulent regimes; (iii) is robust for different flow regimes (Reynolds numbers); and (iv) takes less than 1% of computational time to predict the turbulent flow than solving the governing equations. This work opens up new possibilities for nonlinear decompositions and reduced-order modelling of turbulent flows from data.
Extreme event are sudden large-amplitude changes in the state or observables of chaotic nonlinear systems, which characterize many scientific phenomena. Because of their violent nature, extreme events typically have adverse consequences, which call for methods to prevent the events from happening. In this work, we introduce the control-aware echo state network (Ca-ESN) to seamlessly combine ESNs and control strategies, such as proportional-integral-derivative and model predictive control, to suppress extreme events. The methodology is showcased on a chaotic-turbulent flow, in which we reduce the occurrence of extreme events with respect to traditional methods by two orders of magnitude. This works opens up new possibilities for the efficient control of nonlinear systems with neural networks.
Information on natural phenomena and engineering systems is typically contained in data. Data can be corrupted by systematic errors in models and experiments. In this paper, we propose a tool to uncover the spatiotemporal solution of the underlying physical system by removing the systematic errors from data. The tool is the physics-constrained convolutional neural network (PC-CNN), which combines information from both the systems governing equations and data. We focus on fundamental phenomena that are modelled by partial differential equations, such as linear convection, Burgers equation, and two-dimensional turbulence. First, we formulate the problem, describe the physics-constrained convolutional neural network, and parameterise the systematic error. Second, we uncover the solutions from data corrupted by large multimodal systematic errors. Third, we perform a parametric study for different systematic errors. We show that the method is robust. Fourth, we analyse the physical properties of the uncovered solutions. We show that the solutions inferred from the PC-CNN are physical, in contrast to the data corrupted by systematic errors that does not fulfil the governing equations. This work opens opportunities for removing epistemic errors from models, and systematic errors from measurements.
In the current Noisy Intermediate Scale Quantum (NISQ) era, the presence of noise deteriorates the performance of quantum computing algorithms. Quantum Reservoir Computing (QRC) is a type of Quantum Machine Learning algorithm, which, however, can benefit from different types of tuned noise. In this paper, we analyse the effect that finite-sampling noise has on the chaotic time-series prediction capabilities of QRC and Recurrence-free Quantum Reservoir Computing (RF-QRC). First, we show that, even without a recurrent loop, RF-QRC contains temporal information about previous reservoir states using leaky integrated neurons. This makes RF-QRC different from Quantum Extreme Learning Machines (QELM). Second, we show that finite sampling noise degrades the prediction capabilities of both QRC and RF-QRC while affecting QRC more due to the propagation of noise. Third, we optimize the training of the finite-sampled quantum reservoir computing framework using two methods: (a) Singular Value Decomposition (SVD) applied to the data matrix containing noisy reservoir activation states; and (b) data-filtering techniques to remove the high-frequencies from the noisy reservoir activation states. We show that denoising reservoir activation states improve the signal-to-noise ratios with smaller training loss. Finally, we demonstrate that the training and denoising of the noisy reservoir activation signals in RF-QRC are highly parallelizable on multiple Quantum Processing Units (QPUs) as compared to the QRC architecture with recurrent connections. The analyses are numerically showcased on prototypical chaotic dynamical systems with relevance to turbulence. This work opens opportunities for using quantum reservoir computing with finite samples for time-series forecasting on near-term quantum hardware.
We propose the physics-constrained convolutional neural network (PC-CNN) to infer the high-resolution solution from sparse observations of spatiotemporal and nonlinear partial differential equations. Results are shown for a chaotic and turbulent fluid motion, whose solution is high-dimensional, and has fine spatiotemporal scales. We show that, by constraining prior physical knowledge in the CNN, we can infer the unresolved physical dynamics without using the high-resolution dataset in the training. This opens opportunities for super-resolution of experimental data and low-resolution simulations.
Measurements on dynamical systems, experimental or otherwise, are often subjected to inaccuracies capable of introducing corruption; removal of which is a problem of fundamental importance in the physical sciences. In this work we propose physics-informed convolutional neural networks for stationary corruption removal, providing the means to extract physical solutions from data, given access to partial ground-truth observations at collocation points. We showcase the methodology for 2D incompressible Navier-Stokes equations in the chaotic-turbulent flow regime, demonstrating robustness to modality and magnitude of corruption.
Andrea Porfiri Dal Cin, Timothy Duff, Luca Magri et al.
We introduce a new family of minimal problems for reconstruction from multiple views. Our primary focus is a novel approach to autocalibration, a long-standing problem in computer vision. Traditional approaches to this problem, such as those based on Kruppa's equations or the modulus constraint, rely explicitly on the knowledge of multiple fundamental matrices or a projective reconstruction. In contrast, we consider a novel formulation involving constraints on image points, the unknown depths of 3D points, and a partially specified calibration matrix $K$. For $2$ and $3$ views, we present a comprehensive taxonomy of minimal autocalibration problems obtained by relaxing some of these constraints. These problems are organized into classes according to the number of views and any assumed prior knowledge of $K$. Within each class, we determine problems with the fewest -- or a relatively small number of -- solutions. From this zoo of problems, we devise three practical solvers. Experiments with synthetic and real data and interfacing our solvers with COLMAP demonstrate that we achieve superior accuracy compared to state-of-the-art calibration methods. The code is available at https://github.com/andreadalcin/MinimalPerspectiveAutocalibration
Manifolds discovered by machine learning models provide a compact representation of the underlying data. Geodesics on these manifolds define locally length-minimising curves and provide a notion of distance, which are key for reduced-order modelling, statistical inference, and interpolation. In this work, we propose a model-based parameterisation for distance fields and geodesic flows on manifolds, exploiting solutions of a manifold-augmented Eikonal equation. We demonstrate how the geometry of the manifold impacts the distance field, and exploit the geodesic flow to obtain globally length-minimising curves directly. This work opens opportunities for statistics and reduced-order modelling on differentiable manifolds.
Computing distances on Riemannian manifolds is a challenging problem with numerous applications, from physics, through statistics, to machine learning. In this paper, we introduce the metric-constrained Eikonal solver to obtain continuous, differentiable representations of distance functions on manifolds. The differentiable nature of these representations allows for the direct computation of globally length-minimising paths on the manifold. We showcase the use of metric-constrained Eikonal solvers for a range of manifolds and demonstrate the applications. First, we demonstrate that metric-constrained Eikonal solvers can be used to obtain the Fréchet mean on a manifold, employing the definition of a Gaussian mixture model, which has an analytical solution to verify the numerical results. Second, we demonstrate how the obtained distance function can be used to conduct unsupervised clustering on the manifold -- a task for which existing approaches are computationally prohibitive. This work opens opportunities for distance computations on manifolds.
The goal of many applications in energy and transport sectors is to control turbulent flows. However, because of chaotic dynamics and high dimensionality, the control of turbulent flows is exceedingly difficult. Model-free reinforcement learning (RL) methods can discover optimal control policies by interacting with the environment, but they require full state information, which is often unavailable in experimental settings. We propose a data-assimilated model-based RL (DA-MBRL) framework for systems with partial observability and noisy measurements. Our framework employs a control-aware Echo State Network for data-driven prediction of the dynamics, and integrates data assimilation with an Ensemble Kalman Filter for real-time state estimation. An off-policy actor-critic algorithm is employed to learn optimal control strategies from state estimates. The framework is tested on the Kuramoto-Sivashinsky equation, demonstrating its effectiveness in stabilizing a spatiotemporally chaotic flow from noisy and partial measurements.
We show that recurrent quantum reservoir computers (QRCs) and their recurrence-free architectures (RF-QRCs) are robust tools for learning and forecasting chaotic dynamics from time-series data. First, we formulate and interpret quantum reservoir computers as coupled dynamical systems, where the reservoir acts as a response system driven by training data; in other words, quantum reservoir computers are generalized-synchronization (GS) systems. Second, we show that quantum reservoir computers can learn chaotic dynamics and their invariant properties, such as Lyapunov spectra, attractor dimensions, and geometric properties such as the covariant Lyapunov vectors. This analysis is enabled by deriving the Jacobian of the quantum reservoir update. Third, by leveraging tools from generalized synchronization, we provide a method for designing robust quantum reservoir computers. We propose the criterion $GS=ESP$: GS implies the echo state property (ESP), and vice versa. We analytically show that RF-QRCs, by design, fulfill $GS=ESP$. Finally, we analyze the effect of simulated noise. We find that dissipation from noise enhances the robustness of quantum reservoir computers. Numerical verifications on systems of different dimensions support our conclusions. This work opens opportunities for designing robust quantum machines for chaotic time series forecasting on near-term quantum hardware.
Andrea Marelli, Luca Magri, Federica Arrigoni et al.
In industrial settings, weakly supervised (WS) methods are usually preferred over their fully supervised (FS) counterparts as they do not require costly manual annotations. Unfortunately, the segmentation masks obtained in the WS regime are typically poor in terms of accuracy. In this work, we present a WS method capable of producing accurate masks for semantic segmentation in the case of video streams. More specifically, we build saliency maps that exploit the temporal coherence between consecutive frames in a video, promoting consistency when objects appear in different frames. We apply our method in a waste-sorting scenario, where we perform weakly supervised video segmentation (WSVS) by training an auxiliary classifier that distinguishes between videos recorded before and after a human operator, who manually removes specific wastes from a conveyor belt. The saliency maps of this classifier identify materials to be removed, and we modify the classifier training to minimize differences between the saliency map of a central frame and those in adjacent frames, after having compensated object displacement. Experiments on a real-world dataset demonstrate the benefits of integrating temporal coherence directly during the training phase of the classifier. Code and dataset are available upon request.
We propose an online learning framework for forecasting nonlinear spatio-temporal signals (fields). The method integrates (i) dimensionality reduction, here, a simple proper orthogonal decomposition (POD) projection; (ii) a generalized autoregressive model to forecast reduced dynamics, here, a reservoir computer; (iii) online adaptation to update the reservoir computer (the model), here, ensemble sequential data assimilation. We demonstrate the framework on a wake past a cylinder governed by the Navier-Stokes equations, exploring the assimilation of full flow fields (projected onto POD modes) and sparse sensors. Three scenarios are examined: a naïve physical state estimation; a two-fold estimation of physical and reservoir states; and a three-fold estimation that also adjusts the model parameters. The two-fold strategy significantly improves ensemble convergence and reduces reconstruction error compared to the naïve approach. The three-fold approach enables robust online training of partially-trained reservoir computers, overcoming limitations of a priori training. By unifying data-driven reduced order modelling with Bayesian data assimilation, this work opens new opportunities for scalable online model learning for nonlinear time series forecasting.
In one calculation, adjoint sensitivity analysis provides the gradient of a quantity of interest with respect to all system's parameters. Conventionally, adjoint solvers need to be implemented by differentiating computational models, which can be a cumbersome task and is code-specific. To propose an adjoint solver that is not code-specific, we develop a data-driven strategy. We demonstrate its application on the computation of gradients of long-time averages of chaotic flows. First, we deploy a parameter-aware echo state network (ESN) to accurately forecast and simulate the dynamics of a dynamical system for a range of system's parameters. Second, we derive the adjoint of the parameter-aware ESN. Finally, we combine the parameter-aware ESN with its adjoint version to compute the sensitivities to the system parameters. We showcase the method on a prototypical chaotic system. Because adjoint sensitivities in chaotic regimes diverge for long integration times, we analyse the application of ensemble adjoint method to the ESN. We find that the adjoint sensitivities obtained from the ESN match closely with the original system. This work opens possibilities for sensitivity analysis without code-specific adjoint solvers.
The data-driven learning of solutions of partial differential equations can be based on a divide-and-conquer strategy. First, the high dimensional data is compressed to a latent space with an autoencoder; and, second, the temporal dynamics are inferred on the latent space with a form of recurrent neural network. In chaotic systems and turbulence, convolutional autoencoders and echo state networks (CAE-ESN) successfully forecast the dynamics, but little is known about whether the stability properties can also be inferred. We show that the CAE-ESN model infers the invariant stability properties and the geometry of the tangent space in the low-dimensional manifold (i.e. the latent space) through Lyapunov exponents and covariant Lyapunov vectors. This work opens up new opportunities for inferring the stability of high-dimensional chaotic systems in latent spaces.
Defne E. Ozan, Andrea Nóvoa, Georgios Rigas et al.
The control of spatio-temporally chaos is challenging because of high dimensionality and unpredictability. Model-free reinforcement learning (RL) discovers optimal control policies by interacting with the system, typically requiring observations of the full physical state. In practice, sensors often provide only partial and noisy measurements (observations) of the system. The objective of this paper is to develop a framework that enables the control of chaotic systems with partial and noisy observability. The proposed method, data-assimilated model-informed reinforcement learning (DA-MIRL), integrates (i) low-order models to approximate high-dimensional dynamics; (ii) sequential data assimilation to correct the model prediction when observations become available; and (iii) an off-policy actor-critic RL algorithm to adaptively learn an optimal control strategy based on the corrected state estimates. We test DA-MIRL on the spatiotemporally chaotic solutions of the Kuramoto-Sivashinsky equation. We estimate the full state of the environment with (i) a physics-based model, here, a coarse-grained model; and (ii) a data-driven model, here, the control-aware echo state network, which is proposed in this paper. We show that DA-MIRL successfully estimates and suppresses the chaotic dynamics of the environment in real time from partial observations and approximate models. This work opens opportunities for the control of partially observable chaotic systems.
In this paper, we introduce the proper latent decomposition (PLD) as a generalization of the proper orthogonal decomposition (POD) on manifolds. PLD is a nonlinear reduced-order modeling technique for compressing high-dimensional data into nonlinear coordinates. First, we compute a reduced set of intrinsic coordinates (latent space) to accurately describe a flow with fewer degrees of freedom than the numerical discretization. The latent space, which is geometrically a manifold, is inferred by an autoencoder. Second, we leverage tools from differential geometry to develop numerical methods for operating directly on the latent space; namely, a metric-constrained Eikonal solver for distance computations. With this proposed numerical framework, we propose an algorithm to perform PLD on the manifold. Third, we demonstrate results for a laminar flow case and the turbulent Kolmogorov flow. For the laminar flow case, we are able to identify a semi-analytical expression for the solution of Navier-Stokes; in the Kolmogorov flow case, we are able to identify a dominant mode that exhibits physical structures, which are compared with POD. This work opens opportunities for analyzing autoencoders and latent spaces, nonlinear reduced-order modeling and scientific insights into the structure of high-dimensional data.
Deep Learning (DL) models have been successfully applied to many applications including biomedical cell segmentation and classification in histological images. These models require large amounts of annotated data which might not always be available, especially in the medical field where annotations are scarce and expensive. To overcome this limitation, we propose a novel pipeline for generating synthetic datasets for cell segmentation. Given only a handful of annotated images, our method generates a large dataset of images which can be used to effectively train DL instance segmentation models. Our solution is designed to generate cells of realistic shapes and placement by allowing experts to incorporate domain knowledge during the generation of the dataset.
We propose a physics-constrained convolutional neural network (PC-CNN) to solve two types of inverse problems in partial differential equations (PDEs), which are nonlinear and vary both in space and time. In the first inverse problem, we are given data that is offset by spatially varying systematic error (i.e., the bias, also known as the epistemic uncertainty). The task is to uncover the true state, which is the solution of the PDE, from the biased data. In the second inverse problem, we are given sparse information on the solution of a PDE. The task is to reconstruct the solution in space with high-resolution. First, we present the PC-CNN, which constrains the PDE with a time-windowing scheme to handle sequential data. Second, we analyse the performance of the PC-CNN for uncovering solutions from biased data. We analyse both linear and nonlinear convection-diffusion equations, and the Navier-Stokes equations, which govern the spatiotemporally chaotic dynamics of turbulent flows. We find that the PC-CNN correctly recovers the true solution for a variety of biases, which are parameterised as non-convex functions. Third, we analyse the performance of the PC-CNN for reconstructing solutions from sparse information for the turbulent flow. We reconstruct the spatiotemporal chaotic solution on a high-resolution grid from only 1% of the information contained in it. For both tasks, we further analyse the Navier-Stokes solutions. We find that the inferred solutions have a physical spectral energy content, whereas traditional methods, such as interpolation, do not. This work opens opportunities for solving inverse problems with partial differential equations.
Tullio Traverso, Francesco Coletti, Luca Magri et al.
The accurate prediction of the two-phase heat transfer coefficient (HTC) as a function of working fluids, channel geometries and process conditions is key to the optimal design and operation of compact heat exchangers. Advances in artificial intelligence research have recently boosted the application of machine learning (ML) algorithms to obtain data-driven surrogate models for the HTC. For most supervised learning algorithms, the task is that of a nonlinear regression problem. Despite the fact that these models have been proven capable of outperforming traditional empirical correlations, they have key limitations such as overfitting the data, the lack of uncertainty estimation, and interpretability of the results. To address these limitations, in this paper, we use a multi-output Gaussian process regression (GPR) to estimate the HTC in microchannels as a function of the mass flow rate, heat flux, system pressure and channel diameter and length. The model is trained using the Brunel Two-Phase Flow database of high-fidelity experimental data. The advantages of GPR are data efficiency, the small number of hyperparameters to be trained (typically of the same order of the number of input dimensions), and the automatic trade-off between data fit and model complexity guaranteed by the maximization of the marginal likelihood (Bayesian approach). Our paper proposes research directions to improve the performance of the GPR-based model in extrapolation.
Manifolds discovered by machine learning models provide a compact representation of the underlying data. Geodesics on these manifolds define locally length-minimising curves and provide a notion of distance, which are key for reduced-order modelling, statistical inference, and interpolation. In this work, we first analyse existing methods for computing length-minimising geodesics. We find that these are not suitable for obtaining valid paths, and thus, geodesic distances. We remedy these shortcomings by leveraging numerical tools from differential geometry, which provide the means to obtain Hamiltonian-conserving geodesics. Second, we propose a model-based parameterisation for distance fields and geodesic flows on continuous manifolds. Our approach exploits a manifold-aware extension to the Eikonal equation, eliminating the need for approximations or discretisation. Finally, we develop a curvature-based training mechanism, sampling and scaling points in regions of the manifold exhibiting larger values of the Ricci scalar. This sampling and scaling approach ensures that we capture regions of the manifold subject to higher degrees of geodesic deviation. Our proposed methods provide principled means to compute valid geodesics and geodesic distances on manifolds. This work opens opportunities for latent-space interpolation, optimal control, and distance computation on differentiable manifolds.
The forecasting and computation of the stability of chaotic systems from partial observations are tasks for which traditional equation-based methods may not be suitable. In this computational paper, we propose data-driven methods to (i) infer the dynamics of unobserved (hidden) chaotic variables (full-state reconstruction); (ii) time forecast the evolution of the full state; and (iii) infer the stability properties of the full state. The tasks are performed with long short-term memory (LSTM) networks, which are trained with observations (data) limited to only part of the state: (i) the low-to-high resolution LSTM (LH-LSTM), which takes partial observations as training input, and requires access to the full system state when computing the loss; and (ii) the physics-informed LSTM (PI-LSTM), which is designed to combine partial observations with the integral formulation of the dynamical system's evolution equations. First, we derive the Jacobian of the LSTMs. Second, we analyse a chaotic partial differential equation, the Kuramoto-Sivashinsky (KS), and the Lorenz-96 system. We show that the proposed networks can forecast the hidden variables, both time-accurately and statistically. The Lyapunov exponents and covariant Lyapunov vectors, which characterize the stability of the chaotic attractors, are correctly inferred from partial observations. Third, the PI-LSTM outperforms the LH-LSTM by successfully reconstructing the hidden chaotic dynamics when the input dimension is smaller or similar to the Kaplan-Yorke dimension of the attractor. This work opens new opportunities for reconstructing the full state, inferring hidden variables, and computing the stability of chaotic systems from partial data.
We propose Echo State Networks (ESNs) to predict the statistics of extreme events in a turbulent flow. We train the ESNs on small datasets that lack information about the extreme events. We asses whether the networks are able to extrapolate from the small imperfect datasets and predict the heavy-tail statistics that describe the events. We find that the networks correctly predict the events and improve the statistics of the system with respect to the training data in almost all cases analysed. This opens up new possibilities for the statistical prediction of extreme events in turbulence.
We develop a versatile optimization method, which finds the design parameters that minimize time-averaged acoustic cost functionals. The method is gradient-free, model-informed, and data-driven with reservoir computing based on echo state networks. First, we analyse the predictive capabilities of echo state networks both in the short- and long-time prediction of the dynamics. We find that both fully data-driven and model-informed architectures learn the chaotic acoustic dynamics, both time-accurately and statistically. Informing the training with a physical reduced-order model with one acoustic mode markedly improves the accuracy and robustness of the echo state networks, whilst keeping the computational cost low. Echo state networks offer accurate predictions of the long-time dynamics, which would be otherwise expensive by integrating the governing equations to evaluate the time-averaged quantity to optimize. Second, we couple echo state networks with a Bayesian technique to explore the design thermoacoustic parameter space. The computational method is minimally intrusive. Third, we find the set of flame parameters that minimize the time-averaged acoustic energy of chaotic oscillations, which are caused by the positive feedback with a heat source, such as a flame in gas turbines or rocket motors. These oscillations are known as thermoacoustic oscillations. The optimal set of flame parameters is found with the same accuracy as brute-force grid search, but with a convergence rate that is more than one order of magnitude faster. This work opens up new possibilities for non-intrusive ("hands-off") optimization of chaotic systems, in which the cost of generating data, for example from high-fidelity simulations and experiments, is high.
Nguyen Anh Khoa Doan, Wolfgang Polifke, Luca Magri
We propose a physics-constrained machine learning method-based on reservoir computing- to time-accurately predict extreme events and long-term velocity statistics in a model of turbulent shear flow. The method leverages the strengths of two different approaches: empirical modelling based on reservoir computing, which it learns the chaotic dynamics from data only, and physical modelling based on conservation laws, which extrapolates the dynamics when training data becomes unavailable. We show that the combination of the two approaches is able to accurately reproduce the velocity statistics and to predict the occurrence and amplitude of extreme events in a model of self-sustaining process in turbulence. In this flow, the extreme events are abrupt transitions from turbulent to quasi-laminar states, which are deterministic phenomena that cannot be traditionally predicted because of chaos. Furthermore, the physics-constrained machine learning method is shown to be robust with respect to noise. This work opens up new possibilities for synergistically enhancing data-driven methods with physical knowledge for the time-accurate prediction of chaotic flows.
An approach to the time-accurate prediction of chaotic solutions is by learning temporal patterns from data. Echo State Networks (ESNs), which are a class of Reservoir Computing, can accurately predict the chaotic dynamics well beyond the predictability time. Existing studies, however, also showed that small changes in the hyperparameters may markedly affect the network's performance. The aim of this paper is to assess and improve the robustness of Echo State Networks for the time-accurate prediction of chaotic solutions. The goal is three-fold. First, we investigate the robustness of routinely used validation strategies. Second, we propose the Recycle Validation, and the chaotic versions of existing validation strategies, to specifically tackle the forecasting of chaotic systems. Third, we compare Bayesian optimization with the traditional Grid Search for optimal hyperparameter selection. Numerical tests are performed on two prototypical nonlinear systems that have both chaotic and quasiperiodic solutions. Both model-free and model-informed Echo State Networks are analysed. By comparing the network's robustness in learning chaotic versus quasiperiodic solutions, we highlight fundamental challenges in learning chaotic solutions. The proposed validation strategies, which are based on the dynamical systems properties of chaotic time series, are shown to outperform the state-of-the-art validation strategies. Because the strategies are principled-they are based on chaos theory such as the Lyapunov time-they can be applied to other Recurrent Neural Networks architectures with little modification. This work opens up new possibilities for the robust design and application of Echo State Networks, and Recurrent Neural Networks, to the time-accurate prediction of chaotic systems.
We propose the Automatic-differentiated Physics-Informed Echo State Network (API-ESN). The network is constrained by the physical equations through the reservoir's exact time-derivative, which is computed by automatic differentiation. As compared to the original Physics-Informed Echo State Network, the accuracy of the time-derivative is increased by up to seven orders of magnitude. This increased accuracy is key in chaotic dynamical systems, where errors grows exponentially in time. The network is showcased in the reconstruction of unmeasured (hidden) states of a chaotic system. The API-ESN eliminates a source of error, which is present in existing physics-informed echo state networks, in the computation of the time-derivative. This opens up new possibilities for an accurate reconstruction of chaotic dynamical states.
Nguyen Anh Khoa Doan, Wolfgang Polifke, Luca Magri
We present an Auto-Encoded Reservoir-Computing (AE-RC) approach to learn the dynamics of a 2D turbulent flow. The AE-RC consists of an Autoencoder, which discovers an efficient manifold representation of the flow state, and an Echo State Network, which learns the time evolution of the flow in the manifold. The AE-RC is able to both learn the time-accurate dynamics of the flow and predict its first-order statistical moments. The AE-RC approach opens up new possibilities for the spatio-temporal prediction of turbulence with machine learning.
We propose a physics-informed machine learning method to predict the time average of a chaotic attractor. The method is based on the hybrid echo state network (hESN). We assume that the system is ergodic, so the time average is equal to the ergodic average. Compared to conventional echo state networks (ESN) (purely data-driven), the hESN uses additional information from an incomplete, or imperfect, physical model. We evaluate the performance of the hESN and compare it to that of an ESN. This approach is demonstrated on a chaotic time-delayed thermoacoustic system, where the inclusion of a physical model significantly improves the accuracy of the prediction, reducing the relative error from 48% to 7%. This improvement is obtained at the low extra cost of solving two ordinary differential equations. This framework shows the potential of using machine learning techniques combined with prior physical knowledge to improve the prediction of time-averaged quantities in chaotic systems.
Nguyen Anh Khoa Doan, Wolfgang Polifke, Luca Magri
We extend the Physics-Informed Echo State Network (PI-ESN) framework to reconstruct the evolution of an unmeasured state (hidden state) in a chaotic system. The PI-ESN is trained by using (i) data, which contains no information on the unmeasured state, and (ii) the physical equations of a prototypical chaotic dynamical system. Non-noisy and noisy datasets are considered. First, it is shown that the PI-ESN can accurately reconstruct the unmeasured state. Second, the reconstruction is shown to be robust with respect to noisy data, which means that the PI-ESN acts as a denoiser. This paper opens up new possibilities for leveraging the synergy between physical knowledge and machine learning to enhance the reconstruction and prediction of unmeasured states in chaotic dynamical systems.
Nguyen Anh Khoa Doan, Wolfgang Polifke, Luca Magri
We propose a physics-aware machine learning method to time-accurately predict extreme events in a turbulent flow. The method combines two radically different approaches: empirical modelling based on reservoir computing, which learns the chaotic dynamics from data only, and physical modelling based on conservation laws. We show that the combination of the two approaches is able to predict the occurrence and amplitude of extreme events in the self-sustaining process in turbulence-the abrupt transitions from turbulent to quasi-laminar states-which cannot be achieved by using either approach separately. This opens up new possibilities for enhancing synergistically data-driven methods with physical knowledge for the accurate prediction of extreme events in chaotic dynamical systems.
Reduced-order models based on level-set methods are widely used tools to qualitatively capture and track the nonlinear dynamics of an interface. The aim of this paper is to develop a physics-informed, data-driven, statistically rigorous learning algorithm for state and parameter estimation with level-set methods. A Bayesian approach based on data assimilation is introduced. Data assimilation is enabled by the ensemble Kalman filter and smoother, which are used in their probabilistic formulations. The level-set data assimilation framework is verified in onedimensional and two-dimensional test cases, where state estimation, parameter estimation and uncertainty quantification are performed. The statistical performance of the proposed ensemble Kalman filter and smoother is quantified by twin experiments. In the twin experiments, the combined state and parameter estimation fully recovers the reference solution, which validates the proposed algorithm. The level-set data assimilation framework is then applied to the prediction of the nonlinear dynamics of a forced premixed flame, which exhibits the formation of sharp cusps and intricate topological changes, such as pinch-off events. The proposed physics-informed statistical learning algorithm opens up new possibilities for making reduced-order models of interfaces quantitatively predictive, any time that reference data is available.