Analysis of Electrochemical Impedance Spectroscopy (EIS) data for electrochemical systems often consists of defining an Equivalent Circuit Model (ECM) using expert knowledge and then optimizing the model parameters to deconvolute various resistance, capacitive, inductive, or diffusion responses. For small data sets, this procedure can be conducted manually; however, it is not feasible to manually define a proper ECM for extensive data sets with a wide range of EIS responses. Automatic identification of an ECM would substantially accelerate the analysis of large sets of EIS data. We showcase machine learning methods to classify the ECMs of 9,300 impedance spectra provided by QuantumScape for the BatteryDEV hackathon. The best-performing approach is a gradient-boosted tree model utilizing a library to automatically generate features, followed by a random forest model using the raw spectral data. A convolutional neural network using boolean images of Nyquist representations is presented as an alternative, although it achieves a lower accuracy. We publish the data and open source the associated code. The approaches described in this article can serve as benchmarks for further studies. A key remaining challenge is the identifiability of the labels, underlined by the model performances and the comparison of misclassified spectra.

Federated learning is an approach wherein clients learn collaboratively by sharing their locally trained models (not their data) with a federating agent, which periodically combines their models and returns the federated model to the clients for further refinement (Kairouz et al., 2021; Wang et al., 2021). Federated learning has seen much success in supervised learning applications due to its ability to generate well-trained models using small amounts of data at each client while preserving privacy and reducing the usage of communication resources. Recently, there is a growing interest in employing federated learning for online RL problems where each client collects data online by following its own Markovian trajectory, while simultaneously updating the model parameters (Khodadadian et al., 2022; Nadiger et al., 2019; Qi et al., 2021). However, such an online learning approach requires sequential interactions with the environment or the simulator, which may not be feasible in many real-world applications. Instead, each clients may have pre-collected operational data generated according to a client-specific behavior policy. The federated offline reinforcement learning problem is to learn the optimal policy using these heterogeneous offline data sets distributed across the clients and collected by different unknown behavior policies, without sharing the data explicitly. The framework of offline reinforcement learning (Levine et al., 2020) offers a way to learn the policy only using the offline data collected according a behavior policy, without any direct interactions with the environment. However, naively combining an off-the-shelf offline RL algorithm such as TD3-BC (Fujimoto & Gu, 2021) with an off-the-shelf federated supervised learning approach such as FedAvg (McMahan et al., 2017) will lead to a poorly performing policy, as we show later (see Figure 1-3). Federated offline RL is significantly more challenging than its supervised learning counterpart and the centralized offline RL because of the following reasons.

Real-world data can be multimodal distributed, e.g., data describing the opinion divergence in a community, the interspike interval distribution of neurons, and the oscillators natural frequencies. Generating multimodal distributed real-world data has become a challenge to existing generative adversarial networks (GANs). For example, neural stochastic differential equations (Neural SDEs), treated as infinite-dimensional GANs, have demonstrated successful performance mainly in generating unimodal time series data. In this paper, we propose a novel time series generator, named directed chain GANs (DC-GANs), which inserts a time series dataset (called a neighborhood process of the directed chain or input) into the drift and diffusion coefficients of the directed chain SDEs with distributional constraints. DC-GANs can generate new time series of the same distribution as the neighborhood process, and the neighborhood process will provide the key step in learning and generating multimodal distributed time series. The proposed DC-GANs are examined on four datasets, including two stochastic models from social sciences and computational neuroscience, and two real-world datasets on stock prices and energy consumption. To our best knowledge, DC-GANs are the first work that can generate multimodal time series data and consistently outperforms state-of-the-art benchmarks with respect to measures of distribution, data similarity, and predictive ability.

Data sharing remains a major hindering factor when it comes to adopting emerging AI technologies in general, but particularly in the agri-food sector. Protectiveness of data is natural in this setting; data is a precious commodity for data owners, which if used properly can provide them with useful insights on operations and processes leading to a competitive advantage. Unfortunately, novel AI technologies often require large amounts of training data in order to perform well, something that in many scenarios is unrealistic. However, recent machine learning advances, e.g. federated learning and privacy-preserving technologies, can offer a solution to this issue via providing the infrastructure and underpinning technologies needed to use data from various sources to train models without ever sharing the raw data themselves. In this paper, we propose a technical solution based on federated learning that uses decentralized data, (i.e. data that are not exchanged or shared but remain with the owners) to develop a cross-silo machine learning model that facilitates data sharing across supply chains. We focus our data sharing proposition on improving production optimization through soybean yield prediction, and provide potential use-cases that such methods can assist in other problem settings. Our results demonstrate that our approach not only performs better than each of the models trained on an individual data source, but also that data sharing in the agri-food sector can be enabled via alternatives to data exchange, whilst also helping to adopt emerging machine learning technologies to boost productivity.

Although large language models demonstrate remarkable question-answering performances, revealing the intermediate reasoning steps that the models faithfully follow remains challenging. In this paper, we propose FAME (FAithful question answering with MontE-carlo planning) to answer questions based on faithful reasoning steps. The reasoning steps are organized as a structured entailment tree, which shows how premises are used to produce intermediate conclusions that can prove the correctness of the answer. We formulate the task as a discrete decision-making problem and solve it through the interaction of a reasoning environment and a controller. The environment is modular and contains several basic task-oriented modules, while the controller proposes actions to assemble the modules. Since the search space could be large, we introduce a Monte-Carlo planning algorithm to do a look-ahead search and select actions that will eventually lead to high-quality steps. FAME achieves state-of-the-art performance on the standard benchmark. It can produce valid and faithful reasoning steps compared with large language models with a much smaller model size.

The critical heat flux (CHF) represents the maximum heat flux in the nucleate boiling process, marking an abrupt increase in surface temperature. As a crucial factor in high heat-flux systems to ensure safe operation and prevent system damage, CHF diagnosis has been extensively researched, leading to the development of various mechanistic models explaining the triggering mechanisms of CHF [1][2][3][4]. Among these models -- such as the hydrodynamic instability model, macrolayer dryout model, and interfacial lift-off model -- the hot/dry spot model suggests that irreversible dry patch formation leads to increasing temperature, resulting in the postulation that the development of the irreversible dry spot's temperature hinders the wetting of the heated surface by the supplied liquid [5]. The dry patch is first generated at high heat flux, then coalesces and expands again under the remnant bubble to trigger CHF [6]. To validate and improve such models, visual observation methods have been developed [7][8]. Total reflection visualization and (TR) infrared thermometry (IR) are arguably the most important techniques for visualizing the formation of dry patches while measuring the coincidental temperature evolution of the liquid-vapor system [9][10][11]. Through the methods, the behavior of the bubble structure and dry patch under flow boiling has been observed, and the hydrodynamic mechanism of the irreversible dry patch have been analyzed. Also, there have been attempts to determine CHF based on the temperature of the dry patch periphery [6][12]. Besides, following recent advancements in Convolutional Neural Networks (CNNs), which excel in capturing visual information characteristics, neural networks are expected to have the potential to simplify infrared thermal imaging, as the process typically involves tedious experimental setups and extensive data reduction [13].

Future collaborative robots must be capable of finding objects. As such a fundamental skill, we expect object search to eventually become an off-the-shelf capability for any robot, similar to e.g., object detection, SLAM, and motion planning. However, existing approaches either make unrealistic compromises (e.g., reduce the problem from 3D to 2D), resort to ad-hoc, greedy search strategies, or attempt to learn end-to-end policies in simulation that are yet to generalize across real robots and environments. This thesis argues that through using Partially Observable Markov Decision Processes (POMDPs) to model object search while exploiting structures in the human world (e.g., octrees, correlations) and in human-robot interaction (e.g., spatial language), a practical and effective system for generalized object search can be achieved. In support of this argument, I develop methods and systems for (multi-)object search in 3D environments under uncertainty due to limited field of view, occlusion, noisy, unreliable detectors, spatial correlations between objects, and possibly ambiguous spatial language (e.g., "The red car is behind Chase Bank"). Besides evaluation in simulators such as PyGame, AirSim, and AI2-THOR, I design and implement a robot-independent, environment-agnostic system for generalized object search in 3D and deploy it on the Boston Dynamics Spot robot, the Kinova MOVO robot, and the Universal Robots UR5e robotic arm, to perform object search in different environments. The system enables, for example, a Spot robot to find a toy cat hidden underneath a couch in a kitchen area in under one minute. This thesis also broadly surveys the object search literature, proposing taxonomies in object search problem settings, methods and systems.

In this work, we present a novel physics-based data-driven framework for reduced-order modeling of laser ignition in a model rocket combustor based on parameterized neural ordinary differential equations (PNODE). Deep neural networks are embedded as functions of high-dimensional parameters of laser ignition to predict various terms in a 0D flow model including the heat source function, pre-exponential factors, and activation energy. Using the governing equations of a 0D flow model, our PNODE needs only a limited number of training samples and predicts trajectories of various quantities such as temperature, pressure, and mass fractions of species while satisfying physical constraints. We validate our physics-based PNODE on solution snapshots of high-fidelity Computational Fluid Dynamics (CFD) simulations of laser-induced ignition in a prototype rocket combustor. We compare the performance of our physics-based PNODE with that of kernel ridge regression and fully connected neural networks. Our results show that our physics-based PNODE provides solutions with lower mean absolute errors of average temperature over time, thus improving the prediction of successful laser ignition with high-dimensional parameters.

Most exploration research on reinforcement learning (RL) has paid attention to `the way of exploration', which is `how to explore'. The other exploration research, `when to explore', has not been the main focus of RL exploration research. The issue of `when' of a monolithic exploration in the usual RL exploration behaviour binds an exploratory action to an exploitational action of an agent. Recently, a non-monolithic exploration research has emerged to examine the mode-switching exploration behaviour of humans and animals. The ultimate purpose of our research is to enable an agent to decide when to explore or exploit autonomously. We describe the initial research of an autonomous multi-mode exploration of non-monolithic behaviour in an options framework. The higher performance of our method is shown against the existing non-monolithic exploration method through comparative experimental results.

With the world population rapidly increasing, transforming our agrifood systems to be more productive, efficient, safe, and sustainable is crucial to mitigate potential food shortages. Recently, artificial intelligence (AI) techniques such as deep learning (DL) have demonstrated their strong abilities in various areas, including language, vision, remote sensing (RS), and agrifood systems applications. However, the overall impact of AI on agrifood systems remains unclear. In this paper, we thoroughly review how AI techniques can transform agrifood systems and contribute to the modern agrifood industry. Firstly, we summarize the data acquisition methods in agrifood systems, including acquisition, storage, and processing techniques. Secondly, we present a progress review of AI methods in agrifood systems, specifically in agriculture, animal husbandry, and fishery, covering topics such as agrifood classification, growth monitoring, yield prediction, and quality assessment. Furthermore, we highlight potential challenges and promising research opportunities for transforming modern agrifood systems with AI. We hope this survey could offer an overall picture to newcomers in the field and serve as a starting point for their further research.