Machine Learning and Its Application to Reacting Flows

This open access book introduces and explains machine learning (ML) algorithms and techniques developed for statistical inferences on a complex process or system and their applications to simulations of chemically reacting turbulent flows. These two fields, ML and turbulent combustion, have large body of work and knowledge on their own, and this book brings them together and explain the complexities and challenges involved in applying ML techniques to simulate and study reacting flows. This is important as to the world’s total primary energy supply (TPES), since more than 90% of this supply is through combustion technologies and the non-negligible effects of combustion on environment. Although alternative technologies based on renewable energies are coming up, their shares for the TPES is are less than 5% currently and one needs a complete paradigm shift to replace combustion sources. Whether this is practical or not is entirely a different question, and an answer to this question depends on the respondent. However, a pragmatic analysis suggests that the combustion share to TPES is likely to be more than 70% even by 2070. Hence, it will be prudent to take advantage of ML techniques to improve combustion sciences and technologies so that efficient and “greener” combustion systems that are friendlier to the environment can be designed. The book covers the current state of the art in these two topics and outlines the challenges involved, merits and drawbacks of using ML for turbulent combustion simulations including avenues which can be explored to overcome the challenges. The required mathematical equations and backgrounds are discussed with ample references for readers to find further detail if they wish. This book is unique since there is not any book with similar coverage of topics, ranging from big data analysis and machine learning algorithm to their applications for combustion science and system design for energy generation

Discovering Causal Relations and Equations from Data

Physics is a field of science that has traditionally used the scientific method to answer questions about why natural phenomena occur and to make testable models that explain the phenomena. Discovering equations, laws and principles that are invariant, robust and causal explanations of the world has been fundamental in physical sciences throughout the centuries. Discoveries emerge from observing the world and, when possible, performing interventional studies in the system under study. With the advent of big data and the use of data-driven methods, causal and equation discovery fields have grown and made progress in computer science, physics, statistics, philosophy, and many applied fields. All these domains are intertwined and can be used to discover causal relations, physical laws, and equations from observational data. This paper reviews the concepts, methods, and relevant works on causal and equation discovery in the broad field of Physics and outlines the most important challenges and promising future lines of research. We also provide a taxonomy for observational causal and equation discovery, point out connections, and showcase a complete set of case studies in Earth and climate sciences, fluid dynamics and mechanics, and the neurosciences. This review demonstrates that discovering fundamental laws and causal relations by observing natural phenomena is being revolutionised with the efficient exploitation of observational data, modern machine learning algorithms and the interaction with domain knowledge. Exciting times are ahead with many challenges and opportunities to improve our understanding of complex systems.Comment: 137 page

The ROMES method for statistical modeling of reduced-order-model error

This work presents a technique for statistically modeling errors introduced by reduced-order models. The method employs Gaussian-process regression to construct a mapping from a small number of computationally inexpensive `error indicators' to a distribution over the true error. The variance of this distribution can be interpreted as the (epistemic) uncertainty introduced by the reduced-order model. To model normed errors, the method employs existing rigorous error bounds and residual norms as indicators; numerical experiments show that the method leads to a near-optimal expected effectivity in contrast to typical error bounds. To model errors in general outputs, the method uses dual-weighted residuals---which are amenable to uncertainty control---as indicators. Experiments illustrate that correcting the reduced-order-model output with this surrogate can improve prediction accuracy by an order of magnitude; this contrasts with existing `multifidelity correction' approaches, which often fail for reduced-order models and suffer from the curse of dimensionality. The proposed error surrogates also lead to a notion of `probabilistic rigor', i.e., the surrogate bounds the error with specified probability

Machine Learning and Its Application to Reacting Flows

This open access book introduces and explains machine learning (ML) algorithms and techniques developed for statistical inferences on a complex process or system and their applications to simulations of chemically reacting turbulent flows. These two fields, ML and turbulent combustion, have large body of work and knowledge on their own, and this book brings them together and explain the complexities and challenges involved in applying ML techniques to simulate and study reacting flows. This is important as to the world’s total primary energy supply (TPES), since more than 90% of this supply is through combustion technologies and the non-negligible effects of combustion on environment. Although alternative technologies based on renewable energies are coming up, their shares for the TPES is are less than 5% currently and one needs a complete paradigm shift to replace combustion sources. Whether this is practical or not is entirely a different question, and an answer to this question depends on the respondent. However, a pragmatic analysis suggests that the combustion share to TPES is likely to be more than 70% even by 2070. Hence, it will be prudent to take advantage of ML techniques to improve combustion sciences and technologies so that efficient and “greener” combustion systems that are friendlier to the environment can be designed. The book covers the current state of the art in these two topics and outlines the challenges involved, merits and drawbacks of using ML for turbulent combustion simulations including avenues which can be explored to overcome the challenges. The required mathematical equations and backgrounds are discussed with ample references for readers to find further detail if they wish. This book is unique since there is not any book with similar coverage of topics, ranging from big data analysis and machine learning algorithm to their applications for combustion science and system design for energy generation

Fourier neural operator for real-time simulation of 3D dynamic urban microclimate

Global urbanization has underscored the significance of urban microclimates for human comfort, health, and building/urban energy efficiency. They profoundly influence building design and urban planning as major environmental impacts. Understanding local microclimates is essential for cities to prepare for climate change and effectively implement resilience measures. However, analyzing urban microclimates requires considering a complex array of outdoor parameters within computational domains at the city scale over a longer period than indoors. As a result, numerical methods like Computational Fluid Dynamics (CFD) become computationally expensive when evaluating the impact of urban microclimates. The rise of deep learning techniques has opened new opportunities for accelerating the modeling of complex non-linear interactions and system dynamics. Recently, the Fourier Neural Operator (FNO) has been shown to be very promising in accelerating solving the Partial Differential Equations (PDEs) and modeling fluid dynamic systems. In this work, we apply the FNO network for real-time three-dimensional (3D) urban wind field simulation. The training and testing data are generated from CFD simulation of the urban area, based on the semi-Lagrangian approach and fractional stepping method to simulate urban microclimate features for modeling large-scale urban problems. Numerical experiments show that the FNO model can accurately reconstruct the instantaneous spatial velocity field. We further evaluate the trained FNO model on unseen data with different wind directions, and the results show that the FNO model can generalize well on different wind directions. More importantly, the FNO approach can make predictions within milliseconds on the graphics processing unit, making real-time simulation of 3D dynamic urban microclimate possible

Probabilistic forecast of nonlinear dynamical systems with uncertainty quantification

Data-driven modeling is useful for reconstructing nonlinear dynamical systems when the underlying process is unknown or too expensive to compute. Having reliable uncertainty assessment of the forecast enables tools to be deployed to predict new scenarios unobserved before. In this work, we first extend parallel partial Gaussian processes for predicting the vector-valued transition function that links the observations between the current and next time points, and quantify the uncertainty of predictions by posterior sampling. Second, we show the equivalence between the dynamic mode decomposition and the maximum likelihood estimator of the linear mapping matrix in the linear state space model. The connection provides a data generating model of dynamic mode decomposition and thus, uncertainty of predictions can be obtained. Furthermore, we draw close connections between different data-driven models for approximating nonlinear dynamics, through a unified view of data generating models. We study two numerical examples, where the inputs of the dynamics are assumed to be known in the first example and the inputs are unknown in the second example. The examples indicate that uncertainty of forecast can be properly quantified, whereas model or input misspecification can degrade the accuracy of uncertainty quantification

Machine learning algorithms for fluid mechanics

Neural networks have become increasingly popular in the field of fluid dynamics due to their ability to model complex, high-dimensional flow phenomena. Their flexibility in approximating continuous functions without any preconceived notion of functional form makes them a suitable tool for studying fluid dynamics. The main uses of neural networks in fluid dynamics include turbulence modelling, flow control, prediction of flow fields, and accelerating high-fidelity simulations. This thesis focuses on the latter two applications of neural networks. First, the application of a convolutional neural network (CNN) to accelerate the solution of the Poisson equation step in the pressure projection method for incompressible fluid flows is investigated. The CNN learns to approximate the Poisson equation solution at a lower computational cost than traditional iterative solvers, enabling faster simulations of fluid flows. Results show that the CNN approach is accurate and efficient, achieving significant speedup in the Taylor-Green Vortex problem. Next, predicting flow fields past arbitrarily-shaped bluff bodies from point sensor and plane velocity measurements using neural networks is focused on. A novel conformal-mapping-aided method is devised to embed geometry invariance for the outputs of the neural networks, which is shown to be critical for achieving good performance for flow datasets incorporating a diverse range of geometries. Results show that the proposed methods can accurately predict the flow field, demonstrating excellent agreement with simulation data. Moreover, the flow field predictions can be used to accurately predict lift and drag coefficients, making these methods useful for optimizing the shape of bluff bodies for specific applications.Open Acces