Nonconvex-nonconcave minimax optimization has gained widespread interest over the last decade. However, most existing works focus on variants of gradient descent-ascent (GDA) algorithms, which are only applicable to smooth nonconvex-concave settings. To address this limitation, we propose a novel algorithm named smoothed proximal linear descent-ascent (smoothed PLDA), which can effectively handle a broad range of structured nonsmooth nonconvex-nonconcave minimax problems. Specifically, we consider the setting where the primal function has a nonsmooth composite structure and the dual function possesses the Kurdyka-Lojasiewicz (KL) property with exponent $\theta \in [0,1)$. We introduce a novel convergence analysis framework for smoothed PLDA, the key components of which are our newly developed nonsmooth primal error bound and dual error bound. Using this framework, we show that smoothed PLDA can find both $\epsilon$-game-stationary points and $\epsilon$-optimization-stationary points of the problems of interest in $\mathcal{O}(\epsilon^{-2\max\{2\theta,1\}})$ iterations. Furthermore, when $\theta \in [0,\frac{1}{2}]$, smoothed PLDA achieves the optimal iteration complexity of $\mathcal{O}(\epsilon^{-2})$. To further demonstrate the effectiveness and wide applicability of our analysis framework, we show that certain max-structured problem possesses the KL property with exponent $\theta=0$ under mild assumptions. As a by-product, we establish algorithm-independent quantitative relationships among various stationarity concepts, which may be of independent interest.

This study provides a comprehensive time series analysis of daily industry-specific, country-wise CO$_2$ emissions from January 2019 to February 2023. The research focuses on the Power, Industry, Ground Transport, Domestic Aviation, and International Aviation sectors in European countries (EU27 & UK, Italy, Germany, Spain) and India, utilizing near-real-time activity data from the Carbon Monitor research initiative. To identify regular emission patterns, the data from the year 2020 is excluded due to the disruptive effects caused by the COVID-19 pandemic. The study then performs a principal component analysis (PCA) to determine the key contributors to CO$_2$ emissions. The analysis reveals that the Power, Industry, and Ground Transport sectors account for a significant portion of the variance in the dataset. A 7-day moving averaged dataset is employed for further analysis to facilitate robust predictions. This dataset captures both short-term and long-term trends and enhances the quality of the data for prediction purposes. The study utilizes Long Short-Term Memory (LSTM) models on the 7-day moving averaged dataset to effectively predict emissions and provide insights for policy decisions, mitigation strategies, and climate change efforts. During the training phase, the stability and convergence of the LSTM models are ensured, which guarantees their reliability in the testing phase. The evaluation of the loss function indicates this reliability. The model achieves high efficiency, as demonstrated by $R^2$ values ranging from 0.8242 to 0.995 for various countries and sectors. Furthermore, there is a proposal for utilizing scandium and boron/aluminium-based thin films as exceptionally efficient materials for capturing CO$_2$ (with a binding energy range from -3.0 to -3.5 eV). These materials are shown to surpass the affinity of graphene and boron nitride sheets in this regard.

Advances in computational design and manufacturing (CDaM) have already permeated and transformed numerous industries, including aerospace, architecture, electronics, dental, and digital media, among others. Nevertheless, the full potential of the CDaM workflow is still limited by a number of barriers, such as the extensive domainspecific knowledge that is often required to use CDaM software packages or integrate CDaM solutions into existing workflows. Generative AI tools such as Large Language Models (LLMs) have the potential to remove these barriers, by expediting the CDaM process and providing an intuitive, unified, and user-friendly interface that connects each stage of the pipeline. However, to date, generative AI and LLMs have predominantly been applied to non-engineering domains. In this study, we show how these tools can also be used to develop new design and manufacturing workflows.

Most existing digital twins rely on data-driven black-box models, predominantly using deep neural recurrent, and convolutional neural networks (DNNs, RNNs, and CNNs) to capture the dynamics of chemical systems. However, these models have not seen the light of day, given the hesitance of directly deploying a black-box tool in practice due to safety and operational issues. To tackle this conundrum, hybrid models combining first-principles physics-based dynamics with machine learning (ML) models have increased in popularity as they are considered a 'best of both worlds' approach. That said, existing simple DNN models are not adept at long-term time-series predictions and utilizing contextual information on the trajectory of the process dynamics. Recently, attention-based time-series transformers (TSTs) that leverage multi-headed attention mechanism and positional encoding to capture long-term and short-term changes in process states have shown high predictive performance. Thus, a first-of-a-kind, TST-based hybrid framework has been developed for batch crystallization, demonstrating improved accuracy and interpretability compared to traditional black-box models. Specifically, two different configurations (i.e., series and parallel) of TST-based hybrid models are constructed and compared, which show a normalized-mean-square-error (NMSE) in the range of $[10, 50]\times10^{-4}$ and an $R^2$ value over 0.99. Given the growing adoption of digital twins, next-generation attention-based hybrid models are expected to play a crucial role in shaping the future of chemical manufacturing.

Chemical and biomass processing systems release volatile matter compounds into the environment daily. Catalytic reforming can convert these compounds into valuable fuels, but developing stable and efficient catalysts is challenging. Machine learning can handle complex relationships in big data and optimize reaction conditions, making it an effective solution for addressing the mentioned issues. This study is the first to develop a machine-learning-based research framework for modeling, understanding, and optimizing the catalytic steam reforming of volatile matter compounds. Toluene catalytic steam reforming is used as a case study to show how chemical/textural analyses (e.g., X-ray diffraction analysis) can be used to obtain input features for machine learning models. Literature is used to compile a database covering a variety of catalyst characteristics and reaction conditions. The process is thoroughly analyzed, mechanistically discussed, modeled by six machine learning models, and optimized using the particle swarm optimization algorithm. Ensemble machine learning provides the best prediction performance (R2 > 0.976) for toluene conversion and product distribution. The optimal tar conversion (higher than 77.2%) is obtained at temperatures between 637.44 and 725.62 {\deg}C, with a steam-to-carbon molar ratio of 5.81-7.15 and a catalyst BET surface area 476.03-638.55 m2/g. The feature importance analysis satisfactorily reveals the effects of input descriptors on model prediction. Operating conditions (50.9%) and catalyst properties (49.1%) are equally important in modeling. The developed framework can expedite the search for optimal catalyst characteristics and reaction conditions, not only for catalytic chemical processing but also for related research areas.

In precision agriculture, detecting productive crop fields is an essential practice that allows the farmer to evaluate operating performance separately and compare different seed varieties, pesticides, and fertilizers. However, manually identifying productive fields is often a time-consuming and error-prone task. Previous studies explore different methods to detect crop fields using advanced machine learning algorithms, but they often lack good quality labeled data. In this context, we propose a high-quality dataset generated by machine operation combined with Sentinel-2 images tracked over time. As far as we know, it is the first one to overcome the lack of labeled samples by using this technique. In sequence, we apply a semi-supervised classification of unlabeled data and state-of-the-art supervised and self-supervised deep learning methods to detect productive crop fields automatically. Finally, the results demonstrate high accuracy in Positive Unlabeled learning, which perfectly fits the problem where we have high confidence in the positive samples. Best performances have been found in Triplet Loss Siamese given the existence of an accurate dataset and Contrastive Learning considering situations where we do not have a comprehensive labeled dataset available.

The localization of objects is a crucial task in various applications such as robotics, virtual and augmented reality, and the transportation of goods in warehouses. Recent advances in deep learning have enabled the localization using monocular visual cameras. While structure from motion (SfM) predicts the absolute pose from a point cloud, absolute pose regression (APR) methods learn a semantic understanding of the environment through neural networks. However, both fields face challenges caused by the environment such as motion blur, lighting changes, repetitive patterns, and feature-less structures. This study aims to address these challenges by incorporating additional information and regularizing the absolute pose using relative pose regression (RPR) methods. RPR methods suffer under different challenges, i.e., motion blur. The optical flow between consecutive images is computed using the Lucas-Kanade algorithm, and the relative pose is predicted using an auxiliary small recurrent convolutional network. The fusion of absolute and relative poses is a complex task due to the mismatch between the global and local coordinate systems. State-of-the-art methods fusing absolute and relative poses use pose graph optimization (PGO) to regularize the absolute pose predictions using relative poses. In this work, we propose recurrent fusion networks to optimally align absolute and relative pose predictions to improve the absolute pose prediction. We evaluate eight different recurrent units and construct a simulation environment to pre-train the APR and RPR networks for better generalized training. Additionally, we record a large database of different scenarios in a challenging large-scale indoor environment that mimics a warehouse with transportation robots. We conduct hyperparameter searches and experiments to show the effectiveness of our recurrent fusion method compared to PGO.

Cultivation and weeding are two of the primary tasks performed by farmers today. A recent challenge for weeding is the desire to reduce herbicide and pesticide treatments while maintaining crop quality and quantity. In this paper we introduce BonnBot-I a precise weed management platform which can also performs field monitoring. Driven by crop monitoring approaches which can accurately locate and classify plants (weed and crop) we further improve their performance by fusing the platform available GNSS and wheel odometry. This improves tracking accuracy of our crop monitoring approach from a normalized average error of 8.3% to 3.5%, evaluated on a new publicly available corn dataset. We also present a novel arrangement of weeding tools mounted on linear actuators evaluated in simulated environments. We replicate weed distributions from a real field, using the results from our monitoring approach, and show the validity of our work-space division techniques which require significantly less movement (a 50% reduction) to achieve similar results. Overall, BonnBot-I is a significant step forward in precise weed management with a novel method of selectively spraying and controlling weeds in an arable field

We have developed a methodology for the systematic generation of a large image dataset of macerated wood references, which we used to generate image data for nine hardwood genera. This is the basis for a substantial approach to automate, for the first time, the identification of hardwood species in microscopic images of fibrous materials by deep learning. Our methodology includes a flexible pipeline for easy annotation of vessel elements. We compare the performance of different neural network architectures and hyperparameters. Our proposed method performs similarly well to human experts. In the future, this will improve controls on global wood fiber product flows to protect forests.

Desulfovibrio alaskensis G20 (DA-G20) is utilized as a model for sulfate-reducing bacteria (SRB) that are associated with corrosion issues caused by microorganisms. SRB-based biofilms are thought to be responsible for the billion-dollar-per-year bio-corrosion of metal infrastructure. Understanding the extraction of the bacterial cells' shape and size properties in the SRB-biofilm at different growth stages will assist with the design of anti-corrosion techniques. However, numerous issues affect current approaches, including time-consuming geometric property extraction, low efficiency, and high error rates. This paper proposes BiofilScanner, a Yolact-based deep learning method integrated with invariant moments to address these problems. Our approach efficiently detects and segments bacterial cells in an SRB image while simultaneously invariant moments measure the geometric characteristics of the segmented cells with low errors. The numerical experiments of the proposed method demonstrate that the BiofilmScanner is 2.1x and 6.8x faster than our earlier Mask-RCNN and DLv3+ methods for detecting, segmenting, and measuring the geometric properties of the cell. Furthermore, the BiofilmScanner achieved an F1-score of 85.28% while Mask-RCNN and DLv3+ obtained F1-scores of 77.67% and 75.18%, respectively.