A suite of computational fluid dynamics (CFD) simulations geared towards chemical process equipment modelling has been developed and validated with experimental results from the literature. Various regression based active learning strategies are explored with these CFD simulators in-the-loop under the constraints of a limited function evaluation budget. Specifically, five different sampling strategies and five regression techniques are compared, considering a set of three test cases of industrial significance and varying complexity. Gaussian process regression was observed to have a consistently good performance for these applications. The present quantitative study outlines the pros and cons of the different available techniques and highlights the best practices for their adoption. The test cases and tools are available with an open-source license, to ensure reproducibility and engage the wider research community in contributing to both the CFD models and developing and benchmarking new improved algorithms tailored to this field.

When learning from streaming data, a change in the data distribution, also known as concept drift, can render a previously-learned model inaccurate and require training a new model. We present an adaptive learning algorithm that extends previous drift-detection-based methods by incorporating drift detection into a broader stable-state/reactive-state process. The advantage of our approach is that we can use aggressive drift detection in the stable state to achieve a high detection rate, but mitigate the false positive rate of standalone drift detection via a reactive state that reacts quickly to true drifts while eliminating most false positives. The algorithm is generic in its base learner and can be applied across a variety of supervised learning problems. Our theoretical analysis shows that the risk of the algorithm is competitive to an algorithm with oracle knowledge of when (abrupt) drifts occur. Experiments on synthetic and real datasets with concept drifts confirm our theoretical analysis.

With the advent of renewable energy resources, generation in power networks is drifting from the classical centralized paradigm to an increasingly distributed scenario. While offering many advantages, renewable-based generation can compromise grid reliability, due to its intermittent nature and creation of reverse power flows. In order to guarantee the safe operation of power systems and avoid dangerous phenomena like blackouts, innovative and efficient control algorithms are necessary. Nevertheless, advanced algorithms necessitate grid identification, that is, the knowledge of grid topology and line parameters. Most works on the identification of electric networks focus on topology verification, assuming a known initial topology and aiming at detecting sparse changes, such as line trips or switch activations [1, 2]. More recently, attention has shifted to the estimation of network topology and line parameters without any apriori information. Two main branches of research have appeared. On the one hand, works like [3, 4] propose learning algorithms that exploit the statistical properties of nodal measurements to determine the operational structure and the line impedances. These approaches have the major advantage of accounting for buses with no available measurements (hidden nodes) [4], although restrictive assumptions are required, e.g.

Agile satellites with advanced attitude maneuvering capability are the new generation of Earth observation satellites (EOSs). The continuous improvement in satellite technology and decrease in launch cost have boosted the development of agile EOSs (AEOSs). To efficiently employ the increasing orbiting AEOSs, the AEOS scheduling problem (AEOSSP) aiming to maximize the entire observation profit while satisfying all complex operational constraints, has received much attention over the past 20 years. The objectives of this paper are thus to summarize current research on AEOSSP, identify main accomplishments and highlight potential future research directions. To this end, general definitions of AEOSSP with operational constraints are described initially, followed by its three typical variations including different definitions of observation profit, multi-objective function and autonomous model. A detailed literature review from 1997 up to 2019 is then presented in line with four different solution methods, i.e., exact method, heuristic, metaheuristic and machine learning. Finally, we discuss a number of topics worth pursuing in the future.

In recent years, post-hoc local instance-level and global dataset-level explainability of black-box models has received a lot of attention. Much less attention has been given to obtaining insights at intermediate or group levels, which is a need outlined in recent works that study the challenges in realizing the guidelines in the General Data Protection Regulation (GDPR). In this paper, we propose a meta-method that, given a typical local explainability method, can build a multilevel explanation tree. The leaves of this tree correspond to the local explanations, the root corresponds to the global explanation, and intermediate levels correspond to explanations for groups of data points that it automatically clusters. The method can also leverage side information, where users can specify points for which they may want the explanations to be similar. We argue that such a multilevel structure can also be an effective form of communication, where one could obtain few explanations that characterize the entire dataset by considering an appropriate level in our explanation tree. Explanations for novel test points can be cost-efficiently obtained by associating them with the closest training points. When the local explainability technique is generalized additive (viz. LIME, GAMs), we develop a fast approximate algorithm for building the multilevel tree and study its convergence behavior. We validate the effectiveness of the proposed technique based on two human studies -- one with experts and the other with non-expert users -- on real world datasets, and show that we produce high fidelity sparse explanations on several other public datasets.

One of the core challenges in the field of control theory and reinforcement learning is adaptive control. It is the problem of controlling dynamical systems when the dynamics of the systems are unknown to the decision-making agents. In adaptive control, agents interact with given systems in order to explore and control them while the long-term objective is to minimize the overall average associated costs. The agent has to balance between exploration and exploitation, learn the dynamics, strategize for further exploration, and exploit the estimation to minimize the overall costs. The sequential nature of agent-system interaction results in challenges in the system identifying, estimation, and control under uncertainty, and these challenges are magnified when the systems are partially observable, i.e. contain hidden underlying dynamics. In the linear systems, when the underlying dynamics are fully observable, the asymptotic optimality of estimation methods has been the topic of study in the last decades [Lai et al., 1982, Lai and Wei, 1987]. Recently, novel techniques and learning algorithms have been developed to study the finite-time behavior of adaptive control algorithms and shed light on the design of optimal methods [Peña et al., 2009, Fiechter, 1997, Abbasi-Yadkori and Szepesvári, 2011]. In particular, Abbasi-Yadkori and Szepesvári [2011] proposes to use the principle of optimism in the face of uncertainty (OFU) to balance exploration and exploitation in LQR, where the state of the system is observable.

We propose an end-to-end trained neural networkarchitecture to robustly predict the complex dynamics of fluid flows with high temporal stability. We focus on single-phase smoke simulations in 2D and 3D based on the incompressible Navier-Stokes (NS) equations, which are relevant for a wide range of practical problems. To achieve stable predictions for long-term flow sequences, a convolutional neural network (CNN) is trained for spatial compression in combination with a temporal prediction network that consists of stacked Long Short-Term Memory (LSTM) layers. Our core contribution is a novel latent space subdivision (LSS) to separate the respective input quantities into individual parts of the encoded latent space domain. This allows to distinctively alter the encoded quantities without interfering with the remaining latent space values and hence maximizes external control. By selectively overwriting parts of the predicted latent space points, our proposed method is capable to robustly predict long-term sequences of complex physics problems. In addition, we highlight the benefits of a recurrent training on the latent space creation, which is performed by the spatial compression network.

Increasingly complex and autonomous robots are being deployed in real-world environments with far-reaching consequences. High-stakes scenarios, such as emergency response or offshore energy platform and nuclear inspections, require robot operators to have clear mental models of what the robots can and can't do. However, operators are often not the original designers of the robots and thus, they do not necessarily have such clear mental models, especially if they are novice users. This lack of mental model clarity can slow adoption and can negatively impact human-machine teaming. We propose that interaction with a conversational assistant, who acts as a mediator, can help the user with understanding the functionality of remote robots and increase transparency through natural language explanations, as well as facilitate the evaluation of operators' mental models.

Spatial prediction is commonly achieved under the assumption of a Gaussian random field (GRF) by obtaining maximum likelihood estimates of parameters, and then using the kriging equations to arrive at predicted values. For massive datasets, fixed rank kriging using the Expectation-Maximization (EM) algorithm for estimation has been proposed as an alternative to the usual but computationally prohibitive kriging method. The method reduces computation cost of estimation by redefining the spatial process as a linear combination of basis functions and spatial random effects. A disadvantage of this method is that it imposes constraints on the relationship between the observed locations and the knots. We develop an alternative method that utilizes the Spatial Mixed Effects (SME) model, but allows for additional flexibility by estimating the range of the spatial dependence between the observations and the knots via an Alternating Expectation Conditional Maximization (AECM) algorithm. Experiments show that our methodology improves estimation without sacrificing prediction accuracy while also minimizing the additional computational burden of extra parameter estimation. The methodology is applied to a temperature data set archived by the United States National Climate Data Center, with improved results over previous methodology.

Least mean squares (LMS) is a particular case of the backpropagation (BP) algorithm applied to single-layer neural networks with the mean squared error (MSE) loss. One drawback of the LMS is that the instantaneous weight update is proportional to the square of the norm of the input vector. Normalized least mean squares (NLMS) algorithm amends this drawback by dividing the weight changes by the square of the norm of the input vector. The affine projection algorithm (APA) improved the NLMS algorithm to weight update over a batch of recently seen samples. However, the application of NLMS and APA had been limited to single-layer networks and adaptive filters. In this paper, we consider a virtual target for each neuron of a multi-layer neural network and show that the BP algorithm is equivalent to training the weights of each layer using these virtual targets and the LMS algorithm. We also introduce a consequentialism interpretation of the NLMS and the APA algorithms that justifies their use in multi-layer neural networks. Given any optimization algorithm based on the BP over mini-batches, we propose a novel consequentialism method for updating the weights.Consequently, our proposed weight update can be applied both to plain stochastic gradient descent (SGD) and to momentum methods like RMSProp, Adam, and NAG. These ideas helped us to update the weights more carefully in such a way that minimization of the loss for one sample of the mini-batch does not interfere with other samples in that mini-batch. Our experiments show the usefulness of the proposed method in optimizing deep neural network architectures.