Concept Drift is a phenomenon in which the underlying data distribution and statistical properties of a target domain change over time, leading to a degradation of the model's performance. Consequently, models deployed in production require continuous monitoring through drift detection techniques. Most drift detection methods to date are supervised, i.e., based on ground-truth labels. However, true labels are usually not available in many real-world scenarios. Although recent efforts have been made to develop unsupervised methods, they often lack the required accuracy, have a complexity that makes real-time implementation in production environments difficult, or are unable to effectively characterize drift. To address these challenges, we propose DriftLens, an unsupervised real-time concept drift detection framework. It works on unstructured data by exploiting the distribution distances of deep learning representations. DriftLens can also provide drift characterization by analyzing each label separately. A comprehensive experimental evaluation is presented with multiple deep learning classifiers for text, image, and speech. Results show that (i) DriftLens performs better than previous methods in detecting drift in $11/13$ use cases; (ii) it runs at least 5 times faster; (iii) its detected drift value is very coherent with the amount of drift (correlation $\geq 0.85$); (iv) it is robust to parameter changes.

This contribution gives an overview of an ongoing project using machine learning and computer vision components for improving the electronic waste recycling process. In circular economy, the "virtual mines" concept refers to production cycles where interesting raw materials are reclaimed in an efficient and cost-effective manner from end-of-life items. In particular, the growth of e-waste, due to the increasingly shorter life cycle of hi-tech goods, is a global problem. In this paper, we describe a pipeline based on deep learning model to recycle printed circuit boards at the component level. A pre-trained YOLOv5 model is used to analyze the results of the locally developed dataset. With a different distribution of class instances, YOLOv5 managed to achieve satisfactory precision and recall, with the ability to optimize with large component instances.

The waste of electrical and electronic equipment has been increased due to the fast evolution of technology products and competition of many IT sectors. Every year millions of tons of electronic waste are thrown into the environment which causes high consequences for human health. Therefore, it is crucial to control this waste flow using technology, especially using Artificial Intelligence but also reclamation of critical raw materials for new production processes. In this paper, we focused on the measurement of recyclability of waste electronic components (WECs) from waste printed circuit boards (WPCBs) using mathematical innovation model. This innovative approach evaluates both the recyclability and recycling difficulties of WECs, integrating an AI model for improved disassembly and sorting. Assessing the recyclability of individual electronic components present on WPCBs provides insight into the recovery potential of valuable materials and indicates the level of complexity involved in recycling in terms of economic worth and production utility. This novel measurement approach helps AI models in accurately determining the number of classes to be identified and sorted during the automated disassembly of discarded PCBs. It also facilitates the model in iterative training and validation of individual electronic components.

Gas recognition technology has received considerable attention from researchers in recent years. Nevertheless, the gas recognition area has faced obstacles in implementing deep learning-based recognition solutions due to the absence of standardized protocols. To tackle this problem, we suggest using two sets of specialized evaluation measures for gas recognition algorithms. These metrics will make it easier to examine the performance of these algorithms on various datasets. In addition, we provide a new model called the Wavelet Attention GRU (WAG), which is based on the wavelet attention mechanism. This method facilitates the more efficient retrieval of sensor signals. Compared to other models, WAG significantly decreases the number of sensors needed by 75% while obtaining an identification accuracy of 98.33%. This suggests that WAG is a potential approach for advancing gas recognition algorithms.

Neutron-Transformer Reflectometry and Advanced Computation Engine (N-TRACE ), a neural network model using transformer architecture, is introduced for neutron reflectometry data analysis. It offers fast, accurate initial parameter estimations and efficient refinements, improving efficiency and precision for real-time data analysis of lithium-mediated nitrogen reduction for electrochemical ammonia synthesis, with relevance to other chemical transformations and batteries. Despite limitations in generalizing across systems, it shows promises for the use of transformers as the basis for models that could replace trial-and-error approaches to modeling reflectometry data.

Molecular modeling, a central topic in quantum mechanics, aims to accurately calculate the properties and simulate the behaviors of molecular systems. The molecular model is governed by physical laws, which impose geometric constraints such as invariance and equivariance to coordinate rotation and translation. While numerous deep learning approaches have been developed to learn molecular representations under these constraints, most of them are built upon heuristic and costly modules. We argue that there is a strong need for a general and flexible framework for learning both invariant and equivariant features. In this work, we introduce a novel Transformer-based molecular model called GeoMFormer to achieve this goal. Using the standard Transformer modules, two separate streams are developed to maintain and learn invariant and equivariant representations. Carefully designed cross-attention modules bridge the two streams, allowing information fusion and enhancing geometric modeling in each stream. As a general and flexible architecture, we show that many previous architectures can be viewed as special instantiations of GeoMFormer. Extensive experiments are conducted to demonstrate the power of GeoMFormer. All empirical results show that GeoMFormer achieves strong performance on both invariant and equivariant tasks of different types and scales. Code and models will be made publicly available at https://github.com/c-tl/GeoMFormer.

This paper investigates the optimization of 2D and 3D composite structures using machine learning (ML) techniques, focusing on fracture toughness and crack propagation in the Double Cantilever Beam (DCB) test. By exploring the intricate relationship between microstructural arrangements and macroscopic properties of composites, the study demonstrates the potential of ML as a powerful tool to expedite the design optimization process, offering notable advantages over traditional finite element analysis. The research encompasses four distinct cases, examining crack propagation and fracture toughness in both 2D and 3D composite models. Through the application of ML algorithms, the study showcases the capability for rapid and accurate exploration of vast design spaces in composite materials. The findings highlight the efficiency of ML in predicting mechanical behaviors with limited training data, paving the way for broader applications in composite design and optimization. This work contributes to advancing the understanding of ML's role in enhancing the efficiency of composite material design processes.

Kohn-Sham density functional theory (KS-DFT) has found widespread application in accurate electronic structure calculations. However, it can be computationally demanding especially for large-scale simulations, motivating recent efforts toward its machine-learning (ML) acceleration. We propose a neural network self-consistent fields (NeuralSCF) framework that establishes the Kohn-Sham density map as a deep learning objective, which encodes the mechanics of the Kohn-Sham equations. Modeling this map with an SE(3)-equivariant graph transformer, NeuralSCF emulates the Kohn-Sham self-consistent iterations to obtain electron densities, from which other properties can be derived. NeuralSCF achieves state-of-the-art accuracy in electron density prediction and derived properties, featuring exceptional zero-shot generalization to a remarkable range of out-of-distribution systems. NeuralSCF reveals that learning from KS-DFT's intrinsic mechanics significantly enhances the model's accuracy and transferability, offering a promising stepping stone for accelerating electronic structure calculations through mechanics learning.

The neural moving horizon estimator (NMHE) is a relatively new and powerful state estimator that combines the strengths of neural networks (NNs) and model-based state estimation techniques. Various approaches exist for constructing NMHEs, each with its unique advantages and limitations. However, a comprehensive literature review that consolidates existing knowledge, outlines design guidelines and highlights future research directions is currently lacking. This systematic literature review synthesizes the existing knowledge on NMHE, addressing the above knowledge gap. The paper (1) explains the fundamental principles of NMHE, (2) explores different NMHE architectures, discussing the pros and cons of each, (3) investigates the NN architectures used in NMHE, providing insights for future designs, (4) examines the real-time implementability of current approaches, offering recommendations for practical applications, and (5) discusses the current limitations of NMHE approaches and outlines directions for future research. These insights can significantly improve the design and application of NMHE, which is critical for enhancing state estimation in complex systems.

The goal of multi-objective optimisation is to identify the Pareto front surface which is the set obtained by connecting the best trade-off points. Typically this surface is computed by evaluating the objectives at different points and then interpolating between the subset of the best evaluated trade-off points. In this work, we propose to parameterise the Pareto front surface using polar coordinates. More precisely, we show that any Pareto front surface can be equivalently represented using a scalar-valued length function which returns the projected length along any positive radial direction. We then use this representation in order to rigorously develop the theory and applications of stochastic Pareto front surfaces. In particular, we derive many Pareto front surface statistics of interest such as the expectation, covariance and quantiles. We then discuss how these can be used in practice within a design of experiments setting, where the goal is to both infer and use the Pareto front surface distribution in order to make effective decisions. Our framework allows for clear uncertainty quantification and we also develop advanced visualisation techniques for this purpose. Finally we discuss the applicability of our ideas within multivariate extreme value theory and illustrate our methodology in a variety of numerical examples, including a case study with a real-world air pollution data set.