Electromagnetic (EM) imaging is widely applied in sensing for security, biomedicine, geophysics, and various industries. It is an ill-posed inverse problem whose solution is usually computationally expensive. Machine learning (ML) techniques and especially deep learning (DL) show potential in fast and accurate imaging. However, the high performance of purely data-driven approaches relies on constructing a training set that is statistically consistent with practical scenarios, which is often not possible in EM imaging tasks. Consequently, generalizability becomes a major concern. On the other hand, physical principles underlie EM phenomena and provide baselines for current imaging techniques. To benefit from prior knowledge in big data and the theoretical constraint of physical laws, physics embedded ML methods for EM imaging have become the focus of a large body of recent work. This article surveys various schemes to incorporate physics in learning-based EM imaging. We first introduce background on EM imaging and basic formulations of the inverse problem. We then focus on three types of strategies combining physics and ML for linear and nonlinear imaging and discuss their advantages and limitations. Finally, we conclude with open challenges and possible ways forward in this fast-developing field. Our aim is to facilitate the study of intelligent EM imaging methods that will be efficient, interpretable and controllable.

SFILES is a text-based notation for chemical process flowsheets. It was originally proposed by d'Anterroches (2006) who was inspired by the text-based SMILES notation for molecules. The text-based format has several advantages compared to flowsheet images regarding the storage format, computational accessibility, and eventually for data analysis and processing. However, the original SFILES version cannot describe essential flowsheet configurations unambiguously, such as the distinction between top and bottom products. Neither is it capable of describing the control structure required for the safe and reliable operation of chemical processes. Also, there is no publicly available software for decoding or encoding chemical process topologies to SFILES. We propose the SFILES 2.0 with a complete description of the extended notation and naming conventions. Additionally, we provide open-source software for the automated conversion between flowsheet graphs and SFILES 2.0 strings. This way, we hope to encourage researchers and engineers to publish their flowsheet topologies as SFILES 2.0 strings. The ultimate goal is to set the standards for creating a FAIR database of chemical process flowsheets, which would be of great value for future data analysis and processing.

In this chapter, we identify fundamental geometric structures that underlie the problems of sampling, optimisation, inference and adaptive decision-making. Based on this identification, we derive algorithms that exploit these geometric structures to solve these problems efficiently. We show that a wide range of geometric theories emerge naturally in these fields, ranging from measure-preserving processes, information divergences, Poisson geometry, and geometric integration. Specifically, we explain how (i) leveraging the symplectic geometry of Hamiltonian systems enable us to construct (accelerated) sampling and optimisation methods, (ii) the theory of Hilbertian subspaces and Stein operators provides a general methodology to obtain robust estimators, (iii) preserving the information geometry of decision-making yields adaptive agents that perform active inference. Throughout, we emphasise the rich connections between these fields; e.g., inference draws on sampling and optimisation, and adaptive decision-making assesses decisions by inferring their counterfactual consequences. Our exposition provides a conceptual overview of underlying ideas, rather than a technical discussion, which can be found in the references herein.

Molecular property prediction is of crucial importance in many disciplines such as drug discovery, molecular biology, or material and process design. The frequently employed quantitative structure-property/activity relationships (QSPRs/QSARs) characterize molecules by descriptors which are then mapped to the properties of interest via a linear or nonlinear model. In contrast, graph neural networks, a novel machine learning method, directly work on the molecular graph, i.e., a graph representation where atoms correspond to nodes and bonds correspond to edges. GNNs allow to learn properties in an end-to-end fashion, thereby avoiding the need for informative descriptors as in QSPRs/QSARs. GNNs have been shown to achieve state-of-the-art prediction performance on various property predictions tasks and represent an active field of research. We describe the fundamentals of GNNs and demonstrate the application of GNNs via two examples for molecular property prediction.

Reliable navigation systems have a wide range of applications in robotics and autonomous driving. Current approaches employ an open-loop process that converts sensor inputs directly into actions. However, these open-loop schemes are challenging to handle complex and dynamic real-world scenarios due to their poor generalization. Imitating human navigation, we add a reasoning process to convert actions back to internal latent states, forming a two-stage closed loop of perception, decision-making, and reasoning. Firstly, VAE-Enhanced Demonstration Learning endows the model with the understanding of basic navigation rules. Then, two dual processes in RL-Enhanced Interaction Learning generate reward feedback for each other and collectively enhance obstacle avoidance capability. The reasoning model can substantially promote generalization and robustness, and facilitate the deployment of the algorithm to real-world robots without elaborate transfers. Experiments show our method is more adaptable to novel scenarios compared with state-of-the-art approaches.

In many self-organising systems the ability to extract necessary resources from the external environment is essential to the system's growth and survival. Examples include the extraction of sunlight and nutrients in organic plants, of monetary income in business organisations and of mobile robots in swarm intelligence actions. When operating within competitive, ever-changing environments, such systems must distribute their internal assets wisely so as to improve and adapt their ability to extract available resources. As the system size increases, the asset-distribution process often gets organised around a multi-scale control topology. This topology may be static (fixed) or dynamic (enabling growth and structural adaptation) depending on the system's internal constraints and adaptive mechanisms. In this paper, we expand on a plant-inspired asset-distribution model and introduce a more general multi-scale model applicable across a wider range of natural and artificial system domains. We study the impact that the topology of the multi-scale control process has upon the system's ability to self-adapt asset distribution when resource availability changes within the environment. Results show how different topological characteristics and different competition levels between system branches impact overall system profitability, adaptation delays and disturbances when environmental changes occur. These findings provide a basis for system designers to select the most suitable topology and configuration for their particular application and execution environment.

In general, large datasets enable deep learning models to perform with good accuracy and generalizability. However, massive high-fidelity simulation datasets (from molecular chemistry, astrophysics, computational fluid dynamics (CFD), etc. can be challenging to curate due to dimensionality and storage constraints. Lossy compression algorithms can help mitigate limitations from storage, as long as the overall data fidelity is preserved. To illustrate this point, we demonstrate that deep learning models, trained and tested on data from a petascale CFD simulation, are robust to errors introduced during lossy compression in a semantic segmentation problem. Our results demonstrate that lossy compression algorithms offer a realistic pathway for exposing high-fidelity scientific data to open-source data repositories for building community datasets. In this paper, we outline, construct, and evaluate the requirements for establishing a big data framework, demonstrated at https://blastnet.github.io/, for scientific machine learning.

In this survey, we present the current status on robots performing manipulation tasks that require varying contact with the environment, such that the robot must either implicitly or explicitly control the contact force with the environment to complete the task. Robots can perform more and more manipulation tasks that are still done by humans, and there is a growing number of publications on the topics of 1) performing tasks that always require contact and 2) mitigating uncertainty by leveraging the environment in tasks that, under perfect information, could be performed without contact. The recent trends have seen robots perform tasks earlier left for humans, such as massage, and in the classical tasks, such as peg-in-hole, there is a more efficient generalization to other similar tasks, better error tolerance, and faster planning or learning of the tasks. Thus, in this survey we cover the current stage of robots performing such tasks, starting from surveying all the different in-contact tasks robots can perform, observing how these tasks are controlled and represented, and finally presenting the learning and planning of the skills required to complete these tasks.

This paper analyzes comparatively the performance of Random Forests and Gradient Boosting algorithms in the field of forecasting the energy consumption based on historical data. The two algorithms are applied in order to forecast the energy consumption individually, and then combined together by using a Weighted Average Ensemble Method. The comparison among the achieved experimental results proves that the Weighted Average Ensemble Method provides more accurate results than each of the two algorithms applied alone.

This paper proposes networked dynamics to solve resource allocation problems over time-varying multi-agent networks. The state of each agent represents the amount of used resources (or produced utilities) while the total amount of resources is fixed. The idea is to optimally allocate the resources among the group of agents by minimizing the overall cost function subject to fixed sum of resources. Each agents' information is restricted to its own state and cost function and those of its immediate in-neighbors. This is motivated by distributed applications such as mobile edge-computing, economic dispatch over smart grids, and multi-agent coverage control. This work provides a fast convergent solution (in comparison with linear dynamics) while considering relaxed network connectivity with quantized communication links. The proposed dynamics reaches optimal solution over switching (possibly disconnected) undirected networks as far as their union over some bounded non-overlapping time-intervals has a spanning-tree. We prove feasibility of the solution, uniqueness of the optimal state, and convergence to the optimal value under the proposed dynamics, where the analysis is applicable to similar 1st-order allocation dynamics with strongly sign-preserving nonlinearities, such as actuator saturation.