Indirectly Parameterized Concrete Autoencoders

Feature selection is a crucial task in settings where data is high-dimensional or acquiring the full set of features is costly. Recent developments in neural network-based embedded feature selection show promising results across a wide range of applications. Concrete Autoencoders (CAEs), considered state-of-the-art in embedded feature selection, may struggle to achieve stable joint optimization, hurting their training time and generalization. In this work, we identify that this instability is correlated with the CAE learning duplicate selections. To remedy this, we propose a simple and effective improvement: Indirectly Parameterized CAEs (IP-CAEs). IP-CAEs learn an embedding and a mapping from it to the Gumbel-Softmax distributions' parameters. Despite being simple to implement, IP-CAE exhibits significant and consistent improvements over CAE in both generalization and training time across several datasets for reconstruction and classification. Unlike CAE, IP-CAE effectively leverages non-linear relationships and does not require retraining the jointly optimized decoder. Furthermore, our approach is, in principle, generalizable to Gumbel-Softmax distributions beyond feature selection.

Easy attention: A simple self-attention mechanism for Transformers

To improve the robustness of transformer neural networks used for temporal-dynamics prediction of chaotic systems, we propose a novel attention mechanism called easy attention. Due to the fact that self attention only makes usage of the inner product of queries and keys, it is demonstrated that the keys, queries and softmax are not necessary for obtaining the attention score required to capture long-term dependencies in temporal sequences. Through implementing singular-value decomposition (SVD) on the softmax attention score, we further observe that the self attention compresses contribution from both queries and keys in the spanned space of the attention score. Therefore, our proposed easy-attention method directly treats the attention scores as learnable parameters. This approach produces excellent results when reconstructing and predicting the temporal dynamics of chaotic systems exhibiting more robustness and less complexity than the self attention or the widely-used long short-term memory (LSTM) network. Our results show great potential for applications in more complex high-dimensional dynamical systems.

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.

$β$-Variational autoencoders and transformers for reduced-order modelling of fluid flows

Variational autoencoder (VAE) architectures have the potential to develop reduced-order models (ROMs) for chaotic fluid flows. We propose a method for learning compact and near-orthogonal ROMs using a combination of a $\beta$-VAE and a transformer, tested on numerical data from a two-dimensional viscous flow in both periodic and chaotic regimes. The $\beta$-VAE is trained to learn a compact latent representation of the flow velocity, and the transformer is trained to predict the temporal dynamics in latent space. Using the $\beta$-VAE to learn disentangled representations in latent-space, we obtain a more interpretable flow model with features that resemble those observed in the proper orthogonal decomposition, but with a more efficient representation. Using Poincar\'e maps, the results show that our method can capture the underlying dynamics of the flow outperforming other prediction models. The proposed method has potential applications in other fields such as weather forecasting, structural dynamics or biomedical engineering.

Effective control of two-dimensional Rayleigh--Bénard convection: invariant multi-agent reinforcement learning is all you need

Rayleigh-B\'enard convection (RBC) is a recurrent phenomenon in several industrial and geoscience flows and a well-studied system from a fundamental fluid-mechanics viewpoint. However, controlling RBC, for example by modulating the spatial distribution of the bottom-plate heating in the canonical RBC configuration, remains a challenging topic for classical control-theory methods. In the present work, we apply deep reinforcement learning (DRL) for controlling RBC. We show that effective RBC control can be obtained by leveraging invariant multi-agent reinforcement learning (MARL), which takes advantage of the locality and translational invariance inherent to RBC flows inside wide channels. The MARL framework applied to RBC allows for an increase in the number of control segments without encountering the curse of dimensionality that would result from a naive increase in the DRL action-size dimension. This is made possible by the MARL ability for re-using the knowledge generated in different parts of the RBC domain. We show in a case study that MARL DRL is able to discover an advanced control strategy that destabilizes the spontaneous RBC double-cell pattern, changes the topology of RBC by coalescing adjacent convection cells, and actively controls the resulting coalesced cell to bring it to a new stable configuration. This modified flow configuration results in reduced convective heat transfer, which is beneficial in several industrial processes. Therefore, our work both shows the potential of MARL DRL for controlling large RBC systems, as well as demonstrates the possibility for DRL to discover strategies that move the RBC configuration between different topological configurations, yielding desirable heat-transfer characteristics. These results are useful for both gaining further understanding of the intrinsic properties of RBC, as well as for developing industrial applications.

The transformative potential of machine learning for experiments in fluid mechanics

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.

Predicting the wall-shear stress and wall pressure through convolutional neural networks

The objective of this study is to assess the capability of convolution-based neural networks to predict wall quantities in a turbulent open channel flow. The first tests are performed by training a fully-convolutional network (FCN) to predict the 2D velocity-fluctuation fields at the inner-scaled wall-normal location $y^{+}_{\rm target}$, using the sampled velocity fluctuations in wall-parallel planes located farther from the wall, at $y^{+}_{\rm input}$. The predictions from the FCN are compared against the predictions from a proposed R-Net architecture. Since the R-Net model is found to perform better than the FCN model, the former architecture is optimized to predict the 2D streamwise and spanwise wall-shear-stress components and the wall pressure from the sampled velocity-fluctuation fields farther from the wall. The dataset is obtained from DNS of open channel flow at $Re_{\tau} = 180$ and $550$. The turbulent velocity-fluctuation fields are sampled at various inner-scaled wall-normal locations, along with the wall-shear stress and the wall pressure. At $Re_{\tau}=550$, both FCN and R-Net can take advantage of the self-similarity in the logarithmic region of the flow and predict the velocity-fluctuation fields at $y^{+} = 50$ using the velocity-fluctuation fields at $y^{+} = 100$ as input with about 10% error in prediction of streamwise-fluctuations intensity. Further, the R-Net is also able to predict the wall-shear-stress and wall-pressure fields using the velocity-fluctuation fields at $y^+ = 50$ with around 10% error in the intensity of the corresponding fluctuations at both $Re_{\tau} = 180$ and $550$. These results are an encouraging starting point to develop neural-network-based approaches for modelling turbulence near the wall in large-eddy simulations.

Explaining wall-bounded turbulence through deep learning

Despite its great scientific and technological importance, wall-bounded turbulence is an unresolved problem that requires new perspectives to be tackled. One of the key strategies has been to study interactions among the coherent structures in the flow. Such interactions are explored in this study for the first time using an explainable deep-learning method. The instantaneous velocity field in a turbulent channel is used to predict the velocity field in time through a convolutional neural network. The predicted flow is used to assess the importance of each structure for this prediction using a game-theoretic algorithm (SHapley Additive exPlanations). This work provides results in agreement with previous observations in the literature and extends them by quantifying the importance of the Reynolds-stress structures, finding a causal connection between these structures and the dynamics of the flow. The process, based on deep-learning explainability, has the potential to shed light on numerous fundamental phenomena of wall-bounded turbulence, including the objective definition of new types of flow structures.

Emerging trends in machine learning for computational fluid dynamics

The renewed interest from the scientific community in machine learning (ML) is opening many new areas of research. Here we focus on how novel trends in ML are providing opportunities to improve the field of computational fluid dynamics (CFD). In particular, we discuss synergies between ML and CFD that have already shown benefits, and we also assess areas that are under development and may produce important benefits in the coming years. We believe that it is also important to emphasize a balanced perspective of cautious optimism for these emerging approaches

Physics-Informed Transfer Learning Strategy to Accelerate Unsteady Fluid Flow Simulations

Since the derivation of the Navier Stokes equations, it has become possible to numerically solve real world viscous flow problems (computational fluid dynamics (CFD)). However, despite the rapid advancements in the performance of central processing units (CPUs), the computational cost of simulating transient flows with extremely small time/grid scale physics is still unrealistic. In recent years, machine learning (ML) technology has received significant attention across industries, and this big wave has propagated various interests in the fluid dynamics community. Recent ML CFD studies have revealed that completely suppressing the increase in error with the increase in interval between the training and prediction times in data driven methods is unrealistic. The development of a practical CFD acceleration methodology that applies ML is a remaining issue. Therefore, the objectives of this study were developing a realistic ML strategy based on a physics-informed transfer learning and validating the accuracy and acceleration performance of this strategy using an unsteady CFD dataset. This strategy can determine the timing of transfer learning while monitoring the residuals of the governing equations in a cross coupling computation framework. Consequently, our hypothesis that continuous fluid flow time series prediction is feasible was validated, as the intermediate CFD simulations periodically not only reduce the increased residuals but also update the network parameters. Notably, the cross coupling strategy with a grid based network model does not compromise the simulation accuracy for computational acceleration. The simulation was accelerated by 1.8 times in the laminar counterflow CFD dataset condition including the parameter updating time. Open source CFD software OpenFOAM and open-source ML software TensorFlow were used in this feasibility study.