The naphtha cracking process heavily relies on the composition of naphtha, which is a complex blend of different hydrocarbons. Predicting the naphtha composition accurately is crucial for efficiently controlling the cracking process and achieving maximum performance. Traditional methods, such as gas chromatography and true boiling curve, are not feasible due to the need for pilot-plant-scale experiments or cost constraints. In this paper, we propose a neural network framework that utilizes chemical property information to improve the performance of naphtha composition prediction. Our proposed framework comprises two parts: a Watson K factor estimation network and a naphtha composition prediction network. Both networks share a feature extraction network based on Convolutional Neural Network (CNN) architecture, while the output layers use Multi-Layer Perceptron (MLP) based networks to generate two different outputs - Watson K factor and naphtha composition. The naphtha composition is expressed in percentages, and its sum should be 100%. To enhance the naphtha composition prediction, we utilize a distillation simulator to obtain the distillation curve from the naphtha composition, which is dependent on its chemical properties. By designing a loss function between the estimated and simulated Watson K factors, we improve the performance of both Watson K estimation and naphtha composition prediction. The experimental results show that our proposed framework can predict the naphtha composition accurately while reflecting real naphtha chemical properties.

Recommending novel content, which expands user horizons by introducing them to new interests, has been shown to improve users' long-term experience on recommendation platforms \cite{chen2021values}. Users however are not constantly looking to explore novel content. It is therefore crucial to understand their novelty-seeking intent and adjust the recommendation policy accordingly. Most existing literature models a user's propensity to choose novel content or to prefer a more diverse set of recommendations at individual interactions. Hierarchical structure, on the other hand, exists in a user's novelty-seeking intent, which is manifested as a static and intrinsic user preference for seeking novelty along with a dynamic session-based propensity. To this end, we propose a novel hierarchical reinforcement learning-based method to model the hierarchical user novelty-seeking intent, and to adapt the recommendation policy accordingly based on the extracted user novelty-seeking propensity. We further incorporate diversity and novelty-related measurement in the reward function of the hierarchical RL (HRL) agent to encourage user exploration \cite{chen2021values}. We demonstrate the benefits of explicitly modeling hierarchical user novelty-seeking intent in recommendations through extensive experiments on simulated and real-world datasets. In particular, we demonstrate that the effectiveness of our proposed hierarchical RL-based method lies in its ability to capture such hierarchically-structured intent. As a result, the proposed HRL model achieves superior performance on several public datasets, compared with state-of-art baselines.

Message passing on factor graphs is a powerful framework for probabilistic inference, which finds important applications in various scientific domains. The most wide-spread message passing scheme is the sum-product algorithm (SPA) which gives exact results on trees but often fails on graphs with many small cycles. We search for an alternative message passing algorithm that works particularly well on such cyclic graphs. Therefore, we challenge the extrinsic principle of the SPA, which loses its objective on graphs with cycles. We further replace the local SPA message update rule at the factor nodes of the underlying graph with a generic mapping, which is optimized in a data-driven fashion. These modifications lead to a considerable improvement in performance while preserving the simplicity of the SPA. We evaluate our method for two classes of cyclic graphs: the 2x2 fully connected Ising grid and factor graphs for symbol detection on linear communication channels with inter-symbol interference. To enable the method for large graphs as they occur in practical applications, we develop a novel loss function that is inspired by the Bethe approximation from statistical physics and allows for training in an unsupervised fashion.

Approximating complex state-feedback controllers by parametric deep neural network models is a straightforward and easy technique for reducing the computational overhead of complex control policies, particularly in the context of Model Predictive Control (MPC). Learning a feedback controller to imitate an MPC policy over a given state distribution can overcome the limitations of both the implicit (online) and explicit (offline) variants of MPC. Implicit MPC uses an iterative numerical solver to obtain the optimal solution, which can be intractable to do in real-time for high-dimensional systems with complex dynamics. Conversely, explicit MPC finds an offline formulation of the MPC controller via multi-parametric programming which can be quickly queried, but where the complexity of the explicit representation scales poorly in the problem dimensions. Imitation learning (i.e., finding a feedback controller which approximates and performs similarly to the MPC policy) can transcend these limitations by using the computationally expensive iterative numerical solver in an offline manner to learn a cheaply-queriable, approximate policy solely over the state distribution relevant to the control problem, thereby bypassing the need to store the exact policy representation over the entire state domain. For continuous control problems, where approximately optimal control inputs are sufficient to solve the task, imitation learning is a direct path toward computationally inexpensive controllers which solve difficult, high-dimensional control problems in real-time.

Earth System Models (ESMs) are the primary tools for investigating future Earth system states at time scales from decades to centuries, especially in response to anthropogenic greenhouse gas release. State-of-the-art ESMs can reproduce the observational global mean temperature anomalies of the last 150 years. Nevertheless, ESMs need further improvements, most importantly regarding (i) the large spread in their estimates of climate sensitivity, i.e., the temperature response to increases in atmospheric greenhouse gases, (ii) the modeled spatial patterns of key variables such as temperature and precipitation, (iii) their representation of extreme weather events, and (iv) their representation of multistable Earth system components and their ability to predict associated abrupt transitions. Here, we argue that making ESMs automatically differentiable has huge potential to advance ESMs, especially with respect to these key shortcomings. First, automatic differentiability would allow objective calibration of ESMs, i.e., the selection of optimal values with respect to a cost function for a large number of free parameters, which are currently tuned mostly manually. Second, recent advances in Machine Learning (ML) and in the amount, accuracy, and resolution of observational data promise to be helpful with at least some of the above aspects because ML may be used to incorporate additional information from observations into ESMs. Automatic differentiability is an essential ingredient in the construction of such hybrid models, combining process-based ESMs with ML components. We document recent work showcasing the potential of automatic differentiation for a new generation of substantially improved, data-informed ESMs.

Visual question answering (VQA) methods in remote sensing (RS) aim to answer natural language questions with respect to an RS image. Most of the existing methods require a large amount of computational resources, which limits their application in operational scenarios in RS. To address this issue, in this paper we present an effective lightweight transformer-based VQA in RS (LiT-4-RSVQA) architecture for efficient and accurate VQA in RS. Our architecture consists of: i) a lightweight text encoder module; ii) a lightweight image encoder module; iii) a fusion module; and iv) a classification module. The experimental results obtained on a VQA benchmark dataset demonstrate that our proposed LiT-4-RSVQA architecture provides accurate VQA results while significantly reducing the computational requirements on the executing hardware. Our code is publicly available at https://git.tu-berlin.de/rsim/lit4rsvqa.

Soft robots can execute tasks with safer interactions. However, control techniques that can effectively exploit the systems' capabilities are still missing. Differential dynamic programming (DDP) has emerged as a promising tool for achieving highly dynamic tasks. But most of the literature deals with applying DDP to articulated soft robots by using numerical differentiation, in addition to using pure feed-forward control to perform explosive tasks. Further, underactuated compliant robots are known to be difficult to control and the use of DDP-based algorithms to control them is not yet addressed. We propose an efficient DDP-based algorithm for trajectory optimization of articulated soft robots that can optimize the state trajectory, input torques, and stiffness profile. We provide an efficient method to compute the forward dynamics and the analytical derivatives of series elastic actuators (SEA)/variable stiffness actuators (VSA) and underactuated compliant robots. We present a state-feedback controller that uses locally optimal feedback policies obtained from DDP. We show through simulations and experiments that the use of feedback is crucial in improving the performance and stabilization properties of various tasks. We also show that the proposed method can be used to plan and control underactuated compliant robots, with varying degrees of underactuation effectively.

Cooperative multi-agent reinforcement learning (MARL) methods equip a group of autonomous agents with the capability Executing actions in a correlated manner is a common of planning and learning to maximize their joint strategy for human coordination that often utility, or reward signals in the reinforcement learning (RL) leads to better cooperation, which is also potentially literature, which provides a promising paradigm for a range beneficial for cooperative multi-agent reinforcement of real-world applications, such as traffic control (Chu et al., learning (MARL). However, the recent 2019), coordination of multi-robot systems (Corke et al., success of MARL relies heavily on the convenient 2005), and power grid management (Callaway & Hiskens, paradigm of purely decentralized execution, 2010). As a key distinction from the single-agent setting, where there is no action correlation among agents multi-agent joint action spaces grow exponentially with for scalability considerations. In this work, we the number of agents, which imposes significant scalability introduce a Bayesian network to inaugurate correlations issues. As a convenient and commonly adopted solution, between agents' action selections in their most existing cooperative MARL methods only consider joint policy. Theoretically, we establish a theoretical product policies, i.e., each agent selects its local action independently justification for why action dependencies given the state or its observations. Restricting are beneficial by deriving the multi-agent policy to product policies, however, does come at a cost for cooperative gradient formula under such a Bayesian network tasks: consider an example where cars wait at a joint policy and proving its global convergence crossroads, it would be hard for the cars to coordinate their to Nash equilibria under tabular softmax policy movements without knowing others' intentions, potentially parameterization in cooperative Markov games.

We address the problem of controlling Connected and Automated Vehicles (CAVs) in conflict areas of a traffic network subject to hard safety constraints. It has been shown that such problems can be solved through a combination of tractable optimal control problems and Control Barrier Functions (CBFs) that guarantee the satisfaction of all constraints. These solutions can be reduced to a sequence of Quadratic Programs (QPs) which are efficiently solved on line over discrete time steps. However, guaranteeing the feasibility of the CBF-based QP method within each discretized time interval requires the careful selection of time steps which need to be sufficiently small. This creates computational requirements and communication rates between agents which may hinder the controller's application to real CAVs. In this paper, we overcome this limitation by adopting an event-triggered approach for CAVs in a conflict area such that the next QP is triggered by properly defined events with a safety guarantee. We present a laboratory-scale test bed we have developed to emulate merging roadways using mobile robots as CAVs which can be used to demonstrate how the event-triggered scheme is computationally efficient and can handle measurement uncertainties and noise compared to time-driven control while guaranteeing safety.

Security-constrained unit commitment (SCUC) is a computationally complex process utilized in power system day-ahead scheduling and market clearing. SCUC is run daily and requires state-of-the-art algorithms to speed up the process. The constraints and data associated with SCUC are both geographically and temporally correlated to ensure the reliability of the solution, which further increases the complexity. In this paper, an advanced machine learning (ML) model is used to study the patterns in power system historical data, which inherently considers both spatial and temporal (ST) correlations in constraints. The ST-correlated ML model is trained to understand spatial correlation by considering graph neural networks (GNN) whereas temporal sequences are studied using long short-term memory (LSTM) networks. The proposed approach is validated on several test systems namely, IEEE 24-Bus system, IEEE-73 Bus system, IEEE 118-Bus system, and synthetic South-Carolina (SC) 500-Bus system. Moreover, B-{\theta} and power transfer distribution factor (PTDF) based SCUC formulations were considered in this research. Simulation results demonstrate that the ST approach can effectively predict generator commitment schedule and classify critical and non-critical lines in the system which are utilized for model reduction of SCUC to obtain computational enhancement without loss in solution quality