The field of fluid mechanics is rapidly advancing, driven by unprecedented volumes of data from experiments, field measurements, and large-scale simulations at multiple spatiotemporal scales. Machine learning presents us with a wealth of techniques to extract information from data that can be translated into knowledge about the underlying fluid mechanics. Moreover, machine learning algorithms can augment domain knowledge and automate tasks related to flow control and optimization. This article presents an overview of past history, current developments, and emerging opportunities of machine learning for fluid mechanics. We outline fundamental machine learning methodologies and discuss their uses for understanding, modeling, optimizing, and controlling fluid flows. The strengths and limitations of these methods are addressed from the perspective of scientific inquiry that links data with modeling, experiments, and simulations. Machine learning provides a powerful information processing framework that can augment, and possibly even transform, current lines of fluid mechanics research and industrial applications.

We introduce a novel method to combat label noise when training deep neural networks for classification. We propose a loss function that permits abstention during training thereby allowing the DNN to abstain on confusing samples while continuing to learn and improve classification performance on the non-abstained samples. We show how such a deep abstaining classifier (DAC) can be used for robust learning in the presence of different types of label noise. In the case of structured or systematic label noise -- where noisy training labels or confusing examples are correlated with underlying features of the data-- training with abstention enables representation learning for features that are associated with unreliable labels. In the case of unstructured (arbitrary) label noise, abstention during training enables the DAC to be used as an effective data cleaner by identifying samples that are likely to have label noise. We provide analytical results on the loss function behavior that enable dynamic adaption of abstention rates based on learning progress during training. We demonstrate the utility of the deep abstaining classifier for various image classification tasks under different types of label noise; in the case of arbitrary label noise, we show significant improvements over previously published results on multiple image benchmarks.

We present Ordinary Differential Equation Variational Auto-Encoder (ODE$^2$VAE), a latent second order ODE model for high-dimensional sequential data. Leveraging the advances in deep generative models, ODE$^2$VAE can simultaneously learn the embedding of high dimensional trajectories and infer arbitrarily complex continuous-time latent dynamics. Our model explicitly decomposes the latent space into momentum and position components and solves a second order ODE system, which is in contrast to recurrent neural network (RNN) based time series models and recently proposed non-parametric ODE techniques. In order to account for uncertainty, we propose probabilistic latent ODE dynamics parameterized by deep Bayesian neural networks. We demonstrate our approach on motion capture, image rotation and bouncing balls datasets. We achieve state-of-the-art performance in long term motion prediction and imputation tasks.

Feature selection is central to contemporary high-dimensional data analysis. Grouping structure among features arises naturally in various scientific problems. Many methods have been proposed to incorporate the grouping structure information into feature selection. However, these methods are normally restricted to a linear regression setting. To relax the linear constraint, we combine the deep neural networks (DNNs) with the recent Knockoffs technique, which has been successful in an individual feature selection context. We propose Deep-gKnock (Deep group-feature selection using Knockoffs) as a methodology for model interpretation and dimension reduction. Deep-gKnock performs model-free group-feature selection by controlling group-wise False Discovery Rate (gFDR). Our method improves the interpretability and reproducibility of DNNs. Experimental results on both synthetic and real data demonstrate that our method achieves superior power and accurate gFDR control compared with state-of-the-art methods.

The vulnerabilities of deep neural networks against adversarial examples have become a major concern for deploying these models in sensitive domains. Devising a definitive defense against such attacks is proven to be challenging, and the methods relying on detecting adversarial samples have been shown to be only effective when the attacker is oblivious to the detection mechanism, i.e., in non-adaptive attacks. In this paper, we propose an effective and practical method for detecting adaptive/dynamic adversaries. In short, we train adversary-robust auxiliary detectors to discriminate in-class natural examples from adversarially crafted out-of-class examples. To identify a potential adversary, we first obtain the estimated class of the input using the classification system, and then use the corresponding detector to verify whether the input is a natural example of that class, or is an adversarially manipulated example. Experimental results on MNIST and CIFAR10 dataset show that our method could withstand adaptive PGD attacks. Furthermore, we demonstrate that with our novel training scheme our models learn significant more robust representation than ordinary adversarial training.

Recommendation models mainly deal with categorical variables, such as user/item ID and attributes. Besides the high-cardinality issue, the interactions among such categorical variables are usually long-tailed, with the head made up of highly frequent values and a long tail of rare ones. This phenomenon results in the data sparsity issue, making it essential to regularize the models to ensure generalization. The common practice is to employ grid search to manually tune regularization hyperparameters based on the validation data. However, it requires non-trivial efforts and large computation resources to search the whole candidate space; even so, it may not lead to the optimal choice, for which different parameters should have different regularization strengths. In this paper, we propose a hyperparameter optimization method, LambdaOpt, which automatically and adaptively enforces regularization during training. Specifically, it updates the regularization coefficients based on the performance of validation data. With LambdaOpt, the notorious tuning of regularization hyperparameters can be avoided; more importantly, it allows fine-grained regularization (i.e. each parameter can have an individualized regularization coefficient), leading to better generalized models. We show how to employ LambdaOpt on matrix factorization, a classical model that is representative of a large family of recommender models. Extensive experiments on two public benchmarks demonstrate the superiority of our method in boosting the performance of top-K recommendation.

Neuroscientists have enjoyed much success in understanding brain functions by constructing brain connectivity networks using data collected under highly controlled experimental settings. However, these experimental settings bear little resemblance to our real-life experience in day-to-day interactions with the surroundings. To address this issue, neuroscientists have been measuring brain activity under natural viewing experiments in which the subjects are given continuous stimuli, such as watching a movie or listening to a story. The main challenge with this approach is that the measured signal consists of both the stimulus-induced signal, as well as intrinsic-neural and non-neuronal signals. By exploiting the experimental design, we propose to estimate stimulus-locked brain network by treating non-stimulus-induced signals as nuisance parameters. In many neuroscience applications, it is often important to identify brain regions that are connected to many other brain regions during cognitive process. We propose an inferential method to test whether the maximum degree of the estimated network is larger than a pre-specific number. We prove that the type I error can be controlled and that the power increases to one asymptotically. Simulation studies are conducted to assess the performance of our method. Finally, we analyze a functional magnetic resonance imaging dataset obtained under the Sherlock Holmes movie stimuli.

Weighted A* (wA*) is a widely used algorithm for rapidly, but suboptimally, solving planning and search problems. The cost of the solution it produces is guaranteed to be at most W times the optimal solution cost, where W is the weight wA* uses in prioritizing open nodes. W is therefore a suboptimality bound for the solution produced by wA*. There is broad consensus that this bound is not very accurate, that the actual suboptimality of wA*'s solution is often much less than W times optimal. However, there is very little published evidence supporting that view, and no existing explanation of why W is a poor bound. This paper fills in these gaps in the literature. We begin with a large-scale experiment demonstrating that, across a wide variety of domains and heuristics for those domains, W is indeed very often far from the true suboptimality of wA*'s solution. We then analytically identify the potential sources of error. Finally, we present a practical method for correcting for two of these sources of error and experimentally show that the correction frequently eliminates much of the error.

Reinforcement learning in multi-agent scenarios is important for real-world applications but presents challenges beyond those seen in single-agent settings. We present an actor-critic algorithm that trains decentralized policies in multi-agent settings, using centrally computed critics that share an attention mechanism which selects relevant information for each agent at every timestep. This attention mechanism enables more effective and scalable learning in complex multi-agent environments, when compared to recent approaches. Our approach is applicable not only to cooperative settings with shared rewards, but also individualized reward settings, including adversarial settings, as well as settings that do not provide global states, and it makes no assumptions about the action spaces of the agents. As such, it is flexible enough to be applied to most multi-agent learning problems.

Graph convolution network based approaches have been recently used to model region-wise relationships in region-level prediction problems in urban computing. Each relationship represents a kind of spatial dependency, like region-wise distance or functional similarity. To incorporate multiple relationships into spatial feature extraction, we define the problem as a multi-modal machine learning problem on multi-graph convolution networks. Leveraging the advantage of multi-modal machine learning, we propose to develop modality interaction mechanisms for this problem, in order to reduce generalization error by reinforcing the learning of multimodal coordinated representations. In this work, we propose two interaction techniques for handling features in lower layers and higher layers respectively. In lower layers, we propose grouped GCN to combine the graph connectivity from different modalities for more complete spatial feature extraction. In higher layers, we adapt multi-linear relationship networks to GCN by exploring the dimension transformation and freezing part of the covariance structure. The adapted approach, called multi-linear relationship GCN, learns more generalized features to overcome the train-test divergence induced by time shifting. We evaluated our model on ridehailing demand forecasting problem using two real-world datasets. The proposed technique outperforms state-of-the art baselines in terms of prediction accuracy, training efficiency, interpretability and model robustness.