Given the high power density low discharge rate and decreasing cost rechargeable lithium-ion batteries LiBs have found a wide range of applications such as power grid level storage systems electric vehicles and mobile devices. Developing a framework to accurately model the nonlinear degradation process of LiBs which is indeed a supervised learning problem becomes an important research topic. This paper presents a classical-quantum hybrid machine learning approach to capture the LiB degradation model that assesses battery cell life loss from operating profiles. Our work is motivated by recent advances in quantum computers as well as the similarity between neural networks and quantum circuits. Similar to adjusting weight parameters in conventional neural networks the parameters of the quantum circuit namely the qubits degree of freedom can be tuned to learn a nonlinear function in a supervised learning fashion. As a proof of concept paper our obtained numerical results with the battery dataset provided by NASA demonstrate the ability of the quantum neural networks in modeling the nonlinear relationship between the degraded capacity and the operating cycles. We also discuss the potential advantage of the quantum approach compared to conventional neural networks in classical computers in dealing with massive data especially in the context of future penetration of EVs and energy storage.

Time lag between variables is a key characteristics of dynamical systems in different fields and identifying such time lag is an important problem in complex systems with many applications. Transfer Entropy (TE) was proposed as a tool for time lag identification recently. Unfortunately, estimating TE has been a notoriously difficult problem. Copula Entropy (CE) is a measure of statistical independence and it was proved that TE can be represented with only CE. Therefore, a non-parametric estimator of TE based on CE was proposed according to such representation recently. In this paper we propose to use the CE-based estimator of TE to identify time lag in dynamical systems. Both simulated and real data are used to verify the effectiveness of the proposed method in the experiments. Experimental results show that the proposed method can identify the time lags in the four simulated systems. The real data experiment with the data on power consumption of the Tetouan city also demonstrates that our method can identify the pattern of time lags through the estimated TE from the weather factors to the power consumption of the city.

Spiking neural networks are becoming increasingly popular for their low energy requirement in real-world tasks with accuracy comparable to the traditional ANNs. SNN training algorithms face the loss of gradient information and non-differentiability due to the Heaviside function in minimizing the model loss over model parameters. To circumvent the problem surrogate method uses a differentiable approximation of the Heaviside in the backward pass, while the forward pass uses the Heaviside as the spiking function. We propose to use the zeroth order technique at the neuron level to resolve this dichotomy and use it within the automatic differentiation tool. As a result, we establish a theoretical connection between the proposed local zeroth-order technique and the existing surrogate methods and vice-versa. The proposed method naturally lends itself to energy-efficient training of SNNs on GPUs. Experimental results with neuromorphic datasets show that such implementation requires less than 1 percent neurons to be active in the backward pass, resulting in a 100x speed-up in the backward computation time. Our method offers better generalization compared to the state-of-the-art energy-efficient technique while maintaining similar efficiency.

The Nash equilibrium problem (NEP) [Nash, 1950, 1951] is a central topic in mathematics, economics and computer science. NEP problems have begun to play an important role in machine learning as researchers begin to focus on decisions, incentives and the dynamics of multi-agent learning. In a classical NEP, the payoff to each player depends upon the strategies chosen by all, but the domains from which the strategies are to be chosen for each player are independent of the strategies chosen by other players. The goal is to arrive at a joint optimal outcome where no player can do better by deviating unilaterally [Osborne and Rubinstein, 1994, Myerson, 2013]. The generalized Nash equilibrium problem (GNEP) is a natural generalization of an NEP where the choice of an action by one agent affects both the payoff and the domain of actions of all other agents [Arrow and Debreu, 1954]. Its introduction in the 1950's provided the foundation for a rigorous theory of economic equilibrium [Debreu, 1952, Arrow and Debreu, 1954, Debreu, 1959]. More recently, the GNEP problem has emerged as a powerful paradigm in a range of engineering applications involving noncooperative games. In particular, in the survey of Facchinei and Kanzow [2010a], three general classes of problems were developed in detail: the abstract model of general equilibrium, power allocation in a telecommunication system, and environmental pollution control.

In this paper, we study a problem that integrates the vessel scheduling problem with the berth allocation into a collaborative problem denoted as the multi-port continuous berth allocation problem (MCBAP). This problem optimizes the berth allocation of a set of ships simultaneously in multiple ports while also considering the sailing speed of ships between ports. Due to the highly combinatorial character of the problem, exact methods struggle to scale to large-size instances, which points to exploring heuristic methods. We present a mixed-integer problem formulation for the MCBAP and introduce an adaptive large neighborhood search (ALNS) algorithm enhanced with a local search procedure to solve it. The computational results highlight the method's suitability for larger instances by providing high-quality solutions in short computational times. Practical insights indicate that the carriers' and terminal operators' operational costs are impacted in different ways by fuel prices, external ships at port, and the modeling of a continuous quay.

When it comes to making sure our homes are clean and healthy, one of the most important things to consider is our indoor air quality. Poor air quality can cause a range of health issues, from respiratory illnesses to allergies and asthma. So how can we improve our air quality and keep our homes healthy? The first step to improving indoor air quality is to reduce the amount of pollutants in your home. This can include anything from dust, pet dander, or smoke.

Prior work has successfully incorporated optimization layers as the last layer in neural networks for various problems, thereby allowing joint learning and planning in one neural network forward pass. In this work, we identify a weakness in such a set-up where inputs to the optimization layer lead to undefined output of the neural network. Such undefined decision outputs can lead to possible catastrophic outcomes in critical real time applications. We show that an adversary can cause such failures by forcing rank deficiency on the matrix fed to the optimization layer which results in the optimization failing to produce a solution. We provide a defense for the failure cases by controlling the condition number of the input matrix. We study the problem in the settings of synthetic data, Jigsaw Sudoku, and in speed planning for autonomous driving, building on top of prior frameworks in end-to-end learning and optimization. We show that our proposed defense effectively prevents the framework from failing with undefined output. Finally, we surface a number of edge cases which lead to serious bugs in popular equation and optimization solvers which can be abused as well.

A variety of control tasks such as inverse kinematics (IK), trajectory optimization (TO), and model predictive control (MPC) are commonly formulated as energy minimization problems. Numerical solutions to such problems are well-established. However, these are often too slow to be used directly in real-time applications. The alternative is to learn solution manifolds for control problems in an offline stage. Although this distillation process can be trivially formulated as a behavioral cloning (BC) problem in an imitation learning setting, our experiments highlight a number of significant shortcomings arising due to incompatible local minima, interpolation artifacts, and insufficient coverage of the state space. In this paper, we propose an alternative to BC that is efficient and numerically robust. We formulate the learning of solution manifolds as a minimization of the energy terms of a control objective integrated over the space of problems of interest. We minimize this energy integral with a novel method that combines Monte Carlo-inspired adaptive sampling strategies with the derivatives used to solve individual instances of the control task. We evaluate the performance of our formulation on a series of robotic control problems of increasing complexity, and we highlight its benefits through comparisons against traditional methods such as behavioral cloning and Dataset aggregation (Dagger).

Recent breakthroughs in computing power have made it feasible to use machine learning and deep learning to advance scientific computing in many fields, including fluid mechanics, solid mechanics, materials science, etc. Neural networks, in particular, play a central role in this hybridization. Due to their intrinsic architecture, conventional neural networks cannot be successfully trained and scoped when data is sparse, which is the case in many scientific and engineering domains. Nonetheless, neural networks provide a solid foundation to respect physics-driven or knowledge-based constraints during training. Generally speaking, there are three distinct neural network frameworks to enforce the underlying physics: (i) physics-guided neural networks (PgNNs), (ii) physics-informed neural networks (PiNNs), and (iii) physics-encoded neural networks (PeNNs). These methods provide distinct advantages for accelerating the numerical modeling of complex multiscale multi-physics phenomena. In addition, the recent developments in neural operators (NOs) add another dimension to these new simulation paradigms, especially when the real-time prediction of complex multi-physics systems is required. All these models also come with their own unique drawbacks and limitations that call for further fundamental research. This study aims to present a review of the four neural network frameworks (i.e., PgNNs, PiNNs, PeNNs, and NOs) used in scientific computing research. The state-of-the-art architectures and their applications are reviewed, limitations are discussed, and future research opportunities in terms of improving algorithms, considering causalities, expanding applications, and coupling scientific and deep learning solvers are presented. This critical review provides researchers and engineers with a solid starting point to comprehend how to integrate different layers of physics into neural networks.

Programmable logic controller (PLC) based industrial control systems (ICS) are used to monitor and control critical infrastructure. Integration of communication networks and an Internet of Things approach in ICS has increased ICS vulnerability to cyber-attacks. This work proposes novel unsupervised machine learning ensemble methods for anomaly detection in PLC-based ICS. The work presents two broad approaches to anomaly detection: a weighted voting ensemble approach with a learning algorithm based on coefficient of determination and a stacking-based ensemble approach using isolation forest meta-detector. The two ensemble methods were analyzed via an open-source PLC-based ICS subjected to multiple attack scenarios as a case study. The work considers four different learning models for the weighted voting ensemble method. Comparative performance analyses of five ensemble methods driven diverse base detectors are presented. Results show that stacking-based ensemble method using isolation forest meta-detector achieves superior performance to previous work on all performance metrics. Results also suggest that effective unsupervised ensemble methods, such as stacking-based ensemble having isolation forest meta-detector, can robustly detect anomalies in arbitrary ICS datasets. Finally, the presented results were validated by using statistical hypothesis tests.