We propose a new adversarial training approach for injecting robustness when designing controllers for upcoming cyber-physical power systems. Previous approaches relying deeply on simulations are not able to cope with the rising complexity and are too costly when used online in terms of computation budget. In comparison, our method proves to be computationally efficient online while displaying useful robustness properties. To do so we model an adversarial framework, propose the implementation of a fixed opponent policy and test it on a L2RPN (Learning to Run a Power Network) environment. That environment is a synthetic but realistic modeling of a cyber-physical system accounting for one third of the IEEE 118 grid. Using adversarial testing, we analyze the results of submitted trained agents from the robustness track of the L2RPN competition. We then further assess the performance of those agents in regards to the continuous N-1 problem through tailored evaluation metrics. We discover that some agents trained in an adversarial way demonstrate interesting preventive behaviors in that regard, which we discuss.

Recently, hetero-functional graph theory (HFGT) has developed as a means to mathematically model the structure of large flexible engineering systems. In that regard, it intellectually resembles a fusion of network science and model-based systems engineering. With respect to the former, it relies on multiple graphs as data structures so as to support matrix-based quantitative analysis. In the meantime, HFGT explicitly embodies the heterogeneity of conceptual and ontological constructs found in model-based systems engineering including system form, system function, and system concept. At their foundation, these disparate conceptual constructs suggest multi-dimensional rather than two-dimensional relationships. This paper provides the first tensor-based treatment of some of the most important parts of hetero-functional graph theory. In particular, it addresses the "system concept", the hetero-functional adjacency matrix, and the hetero-functional incidence tensor. The tensor-based formulation described in this work makes a stronger tie between HFGT and its ontological foundations in MBSE. Finally, the tensor-based formulation facilitates an understanding of the relationships between HFGT and multi-layer networks.

The hls4ml library [1, 2] is an open source software designed to facilitate the deployment of machine learning (ML) models on field-programmable gate arrays (FPGAs), targeting low-latency and low-power edge applications. Taking as input a neural network model, hls4ml generates C/C code designed to be transpiled into FPGA firmware by processing it with a high-level synthesis (HLS) library. The development of hls4ml was historically driven by the need to integrate ML algorithms in the first stage of the real-time data processing of particle physics experiments operating at the CERN Large Hadron Collider (LHC). The LHC produces high-energy proton collisions (or events) every 25 ns, each consisting of about 1 MB of raw data. Since this throughput is overwhelming for the currently available processing and storage resources, the LHC experiments run a real-time event selection system, the so-called Level-1 trigger (L1T), to reduce the event rate from 40 MHz to 100 kHz [3-6]. Due to the size of the buffering system, the L1T system operates with a fixed latency of O(1 µs). While hls4ml excels as a tool to automatically generate low-latency ML firmware for L1T applications, it also offers interesting opportunities for edge-computing applications beyond particle physics whenever efficient, e.g.

Machine learning has been widely adopted to accelerate the screening of materials. Most existing studies implicitly assume that the training data are generated through a deterministic, unbiased process, but this assumption might not hold for the simulation of some complex materials. In this work, we aim to screen amorphous polymer electrolytes which are promising candidates for the next generation lithium-ion battery technology but extremely expensive to simulate due to their structural complexity. We demonstrate that a multi-task graph neural network can learn from a large amount of noisy, biased data and a small number of unbiased data and reduce both random and systematic errors in predicting the transport properties of polymer electrolytes. This observation allows us to achieve accurate predictions on the properties of complex materials by learning to reduce errors in the training data, instead of running repetitive, expensive simulations which is conventionally used to reduce simulation errors. With this approach, we screen a space of 6247 polymer electrolytes, orders of magnitude larger than previous computational studies. We also find a good extrapolation performance to the top polymers from a larger space of 53362 polymers and 31 experimentally-realized polymers. The strategy employed in this work may be applicable to a broad class of material discovery problems that involve the simulation of complex, amorphous materials.

A neural ordinary differential equations network (ODE-Net)-enabled reachability method (Neuro-Reachability) is devised for the dynamic verification of networked microgrids (NMs) with unidentified subsystems and heterogeneous uncertainties. Three new contributions are presented: 1) An ODENet-enabled dynamic model discovery approach is devised to construct the data-driven state-space model which preserves the nonlinear and differential structure of the NMs system; 2) A physics-data-integrated (PDI) NMs model is established, which empowers various NM analytics; and 3) A conformance-empowered reachability analysis is developed to enhance the reliability of the PDI-driven dynamic verification. Extensive case studies demonstrate the efficacy of the ODE-Net-enabled method in microgrid dynamic model discovery, and the effectiveness of the Neuro-Reachability approach in verifying the NMs dynamics under multiple uncertainties and various operational scenarios.

Applications of reinforcement learning (RL) to stabilization problems of real systems are restricted since an agent needs many experiences to learn an optimal policy and may determine dangerous actions during its exploration. If we know a mathematical model of a real system, a simulator is useful because it predicates behaviors of the real system using the mathematical model with a given system parameter vector. We can collect many experiences more efficiently than interactions with the real system. However, it is difficult to identify the system parameter vector accurately. If we have an identification error, experiences obtained by the simulator may degrade the performance of the learned policy. Thus, we propose a practical RL algorithm that consists of two stages. At the first stage, we choose multiple system parameter vectors. Then, we have a mathematical model for each system parameter vector, which is called a virtual system. We obtain optimal Q-functions for multiple virtual systems using the continuous deep Q-learning algorithm. At the second stage, we represent a Q-function for the real system by a linear approximated function whose basis functions are optimal Q-functions learned at the first stage. The agent learns the Q-function through interactions with the real system online. By numerical simulations, we show the usefulness of our proposed method.

In application areas where data generation is expensive, Gaussian processes are a preferred supervised learning model due to their high data-efficiency. Particularly in model-based control, Gaussian processes allow the derivation of performance guarantees using probabilistic model error bounds. To make these approaches applicable in practice, two open challenges must be solved i) Existing error bounds rely on prior knowledge, which might not be available for many real-world tasks. (ii) The relationship between training data and the posterior variance, which mainly drives the error bound, is not well understood and prevents the asymptotic analysis. This article addresses these issues by presenting a novel uniform error bound using Lipschitz continuity and an analysis of the posterior variance function for a large class of kernels. Additionally, we show how these results can be used to guarantee safe control of an unknown dynamical system and provide numerical illustration examples.

The success of Convolutional Neural Networks (CNNs) in computer vision is mainly driven by their strong inductive bias, which is strong enough to allow CNNs to solve vision-related tasks with random weights, meaning without learning. Similarly, Long Short-Term Memory (LSTM) has a strong inductive bias towards storing information over time. However, many real-world systems are governed by conservation laws, which lead to the redistribution of particular quantities -- e.g. in physical and economical systems. Our novel Mass-Conserving LSTM (MC-LSTM) adheres to these conservation laws by extending the inductive bias of LSTM to model the redistribution of those stored quantities. MC-LSTMs set a new state-of-the-art for neural arithmetic units at learning arithmetic operations, such as addition tasks, which have a strong conservation law, as the sum is constant over time. Further, MC-LSTM is applied to traffic forecasting, modelling a pendulum, and a large benchmark dataset in hydrology, where it sets a new state-of-the-art for predicting peak flows. In the hydrology example, we show that MC-LSTM states correlate with real-world processes and are therefore interpretable.

In the current era, people and society have grown increasingly reliant on Artificial Intelligence (AI) technologies. AI has the potential to drive us towards a future in which all of humanity flourishes. It also comes with substantial risks for oppression and calamity. Discussions about whether we should (re)trust AI have repeatedly emerged in recent years and in many quarters, including industry, academia, health care, services, and so on. Technologists and AI researchers have a responsibility to develop trustworthy AI systems. They have responded with great efforts of designing more responsible AI algorithms. However, existing technical solutions are narrow in scope and have been primarily directed towards algorithms for scoring or classification tasks, with an emphasis on fairness and unwanted bias. To build long-lasting trust between AI and human beings, we argue that the key is to think beyond algorithmic fairness and connect major aspects of AI that potentially cause AI's indifferent behavior. In this survey, we provide a systematic framework of Socially Responsible AI Algorithms that aims to examine the subjects of AI indifference and the need for socially responsible AI algorithms, define the objectives, and introduce the means by which we may achieve these objectives. We further discuss how to leverage this framework to improve societal well-being through protection, information, and prevention/mitigation.

Classification algorithms have recently found applications in computational physics for the selection of numerical methods or models adapted to the environment and the state of the physical system. For such classification tasks, labeled training data come from numerical simulations and generally correspond to physical fields discretized on a mesh. Three challenging difficulties arise: the lack of training data, their high dimensionality, and the non-applicability of common data augmentation techniques to physics data. This article introduces two algorithms to address these issues, one for dimensionality reduction via feature selection, and one for data augmentation. These algorithms are combined with a wide variety of classifiers for their evaluation. When combined with a stacking ensemble made of six multilayer perceptrons and a ridge logistic regression, they enable reaching an accuracy of 90% on our classification problem for nonlinear structural mechanics.