Improving energy efficiency in industrial production processes is crucial for competitiveness, and compliance with climate policies. This paper introduces a data-driven approach to identify optimal melting patterns in induction furnaces. Through time-series K-means clustering the melting patterns could be classified into distinct clusters based on temperature profiles. Using the elbow method, 12 clusters were identified, representing the range of melting patterns. Performance parameters such as melting time, energy-specific performance, and carbon cost were established for each cluster, indicating furnace efficiency and environmental impact. Multiple criteria decision-making methods including Simple Additive Weighting, Multiplicative Exponential Weighting, Technique for Order of Preference by Similarity to Ideal Solution, modified TOPSIS, and VlseKriterijumska Optimizacija I Kompromisno Resenje were utilized to determine the best-practice cluster. The study successfully identified the cluster with the best performance. Implementing the best practice operation resulted in an 8.6 % reduction in electricity costs, highlighting the potential energy savings in the foundry.

Deep learning algorithms often are trained and deployed on different datasets. Any systematic difference between the training and a test dataset may degrade the algorithm performance--what is known as the domain shift problem. This issue is prevalent in many scientific domains where algorithms are trained on simulated data but applied to real-world datasets. Typically, the domain shift problem is solved through various domain adaptation methods. However, these methods are often tailored for a specific downstream task and may not easily generalize to different tasks. This work explores the feasibility of using an alternative way to solve the domain shift problem that is not specific to any downstream algorithm. The proposed approach relies on modern Unpaired Image-to-Image translation techniques, designed to find translations between different image domains in a fully unsupervised fashion. In this study, the approach is applied to a domain shift problem commonly encountered in Liquid Argon Time Projection Chamber (LArTPC) detector research when seeking a way to translate samples between two differently distributed detector datasets deterministically. This translation allows for mapping real-world data into the simulated data domain where the downstream algorithms can be run with much less domain-shift-related degradation. Conversely, using the translation from the simulated data in a real-world domain can increase the realism of the simulated dataset and reduce the magnitude of any systematic uncertainties. We adapted several UI2I translation algorithms to work on scientific data and demonstrated the viability of these techniques for solving the domain shift problem with LArTPC detector data. To facilitate further development of domain adaptation techniques for scientific datasets, the "Simple Liquid-Argon Track Samples" dataset used in this study also is published.

Fault detection and isolation in complex systems are critical to ensure reliable and efficient operation. However, traditional fault detection methods often struggle with issues such as nonlinearity and multivariate characteristics of the time series variables. This article proposes a generative adversarial wavelet neural operator (GAWNO) as a novel unsupervised deep learning approach for fault detection and isolation of multivariate time series processes.The GAWNO combines the strengths of wavelet neural operators and generative adversarial networks (GANs) to effectively capture both the temporal distributions and the spatial dependencies among different variables of an underlying system. The approach of fault detection and isolation using GAWNO consists of two main stages. In the first stage, the GAWNO is trained on a dataset of normal operating conditions to learn the underlying data distribution. In the second stage, a reconstruction error-based threshold approach using the trained GAWNO is employed to detect and isolate faults based on the discrepancy values. We validate the proposed approach using the Tennessee Eastman Process (TEP) dataset and Avedore wastewater treatment plant (WWTP) and N2O emissions named as WWTPN2O datasets. Overall, we showcase that the idea of harnessing the power of wavelet analysis, neural operators, and generative models in a single framework to detect and isolate faults has shown promising results compared to various well-established baselines in the literature.

At its core, this thesis aims to enhance the practicality of deep learning by improving the label and training efficiency of deep learning models. To this end, we investigate data subset selection techniques, specifically active learning and active sampling, grounded in information-theoretic principles. Active learning improves label efficiency, while active sampling enhances training efficiency. Supervised deep learning models often require extensive training with labeled data. Label acquisition can be expensive and time-consuming, and training large models is resource-intensive, hindering the adoption outside academic research and ``big tech.'' Existing methods for data subset selection in deep learning often rely on heuristics or lack a principled information-theoretic foundation. In contrast, this thesis examines several objectives for data subset selection and their applications within deep learning, striving for a more principled approach inspired by information theory. We begin by disentangling epistemic and aleatoric uncertainty in single forward-pass deep neural networks, which provides helpful intuitions and insights into different forms of uncertainty and their relevance for data subset selection. We then propose and investigate various approaches for active learning and data subset selection in (Bayesian) deep learning. Finally, we relate various existing and proposed approaches to approximations of information quantities in weight or prediction space. Underpinning this work is a principled and practical notation for information-theoretic quantities that includes both random variables and observed outcomes. This thesis demonstrates the benefits of working from a unified perspective and highlights the potential impact of our contributions to the practical application of deep learning.

The rapid advancement of artificial intelligence (AI) techniques has opened up new opportunities to revolutionize various fields, including operations research (OR). This survey paper explores the integration of AI within the OR process (AI4OR) to enhance its effectiveness and efficiency across multiple stages, such as parameter generation, model formulation, and model optimization. By providing a comprehensive overview of the state-of-the-art and examining the potential of AI to transform OR, this paper aims to inspire further research and innovation in the development of AI-enhanced OR methods and tools. The synergy between AI and OR is poised to drive significant advancements and novel solutions in a multitude of domains, ultimately leading to more effective and efficient decision-making.

Abandoning fossil fuels and adopting lower-carbon technologies are our best options for warding off the accelerating threat of climate change. And access to rare earth elements, key ingredients in many of these technologies, will partly determine which countries will meet their goals for lowering emissions. Some nations, including the US, are increasingly worried about whether the supply of those elements will remain stable. As a result, scientists and companies alike are intent on increasing access and improving sustainability by exploring secondary or unconventional sources. This story is from the next magazine edition of MIT Technology Review, set to go live on January 8--and it's all about innovation.

Unmanned Aerial Vehicles (UAVs) have become pivotal in domains spanning military, agriculture, surveillance, and logistics, revolutionizing data collection and environmental interaction. With the advancement in drone technology, there is a compelling need to develop a holistic methodology for designing UAVs. This research focuses on establishing a procedure encompassing conceptual design, use of composite materials, weight optimization, stability analysis, avionics integration, advanced manufacturing, and incorporation of autonomous payload delivery through object detection models tailored to satisfy specific applications while maintaining cost efficiency. The study conducts a comparative assessment of potential composite materials and various quadcopter frame configurations. The novel features include a payload-dropping mechanism, a unibody arm fixture, and the utilization of carbon-fibre-balsa composites. A quadcopter is designed and analyzed using the proposed methodology, followed by its fabrication using additive manufacturing and vacuum bagging techniques. A computer vision-based deep learning model enables precise delivery of payloads by autonomously detecting targets.

While word error rates of automatic speech recognition (ASR) systems have consistently fallen, natural language understanding (NLU) applications built on top of ASR systems still attribute significant numbers of failures to low-quality speech recognition results. Existing assistant systems collect large numbers of these unsuccessful interactions, but these systems usually fail to learn from these interactions, even in an offline fashion. In this work, we introduce CLC: Contrastive Learning for Conversations, a family of methods for contrastive fine-tuning of models in a self-supervised fashion, making use of easily detectable artifacts in unsuccessful conversations with assistants. We demonstrate that our CLC family of approaches can improve the performance of ASR models on OD3, a new public large-scale semi-synthetic meta-dataset of audio task-oriented dialogues, by up to 19.2%. These gains transfer to real-world systems as well, where we show that CLC can help to improve performance by up to 6.7% over baselines. We make OD3 publicly available at https://github.com/amazon-science/amazon-od3 .

The conflict between stiffness and toughness is a fundamental problem in engineering materials design. However, the systematic discovery of microstructured composites with optimal stiffness-toughness trade-offs has never been demonstrated, hindered by the discrepancies between simulation and reality and the lack of data-efficient exploration of the entire Pareto front. We introduce a generalizable pipeline that integrates physical experiments, numerical simulations, and artificial neural networks to address both challenges. Without any prescribed expert knowledge of material design, our approach implements a nested-loop proposal-validation workflow to bridge the simulation-to-reality gap and discover microstructured composites that are stiff and tough with high sample efficiency. Further analysis of Pareto-optimal designs allows us to automatically identify existing toughness enhancement mechanisms, which were previously discovered through trial-and-error or biomimicry. On a broader scale, our method provides a blueprint for computational design in various research areas beyond solid mechanics, such as polymer chemistry, fluid dynamics, meteorology, and robotics.

Surfactants are of high importance in different industrial sectors such as cosmetics, detergents, oil recovery and drug delivery systems. Therefore, many quantitative structure-property relationship (QSPR) models have been developed for surfactants. Each predictive model typically focuses on one surfactant class, mostly nonionics. Graph Neural Networks (GNNs) have exhibited a great predictive performance for property prediction of ionic liquids, polymers and drugs in general. Specifically for surfactants, GNNs can successfully predict critical micelle concentration (CMC), a key surfactant property associated with micellization. A key factor in the predictive ability of QSPR and GNN models is the data available for training. Based on extensive literature search, we create the largest available CMC database with 429 molecules and the first large data collection for surface excess concentration ($\Gamma$$_{m}$), another surfactant property associated with foaming, with 164 molecules. Then, we develop GNN models to predict the CMC and $\Gamma$$_{m}$ and we explore different learning approaches, i.e., single- and multi-task learning, as well as different training strategies, namely ensemble and transfer learning. We find that a multi-task GNN with ensemble learning trained on all $\Gamma$$_{m}$ and CMC data performs best. Finally, we test the ability of our CMC model to generalize on industrial grade pure component surfactants. The GNN yields highly accurate predictions for CMC, showing great potential for future industrial applications.