Perovskite Quantum Dots (PQDs) have a promising future for several applications due to their unique properties. This study investigates the effectiveness of Machine Learning (ML) in predicting the size, absorbance (1S abs) and photoluminescence (PL) properties of $\mathrm{CsPbCl}_3$ PQDs using synthesizing features as the input dataset. the study employed ML models of Support Vector Regression (SVR), Nearest Neighbour Distance (NND), Random Forest (RF), Gradient Boosting Machine (GBM), Decision Tree (DT) and Deep Learning (DL). Although all models performed highly accurate results, SVR and NND demonstrated the best accurate property prediction by achieving excellent performance on the test and training datasets, with high $\mathrm{R}^2$ and low Root Mean Squared Error (RMSE) and low Mean Absolute Error (MAE) metric values. Given that ML is becoming more superior, its ability to understand the QDs field could prove invaluable to shape the future of nanomaterials designing.

In this paper we demonstrate the possibility of a trend reversal in binary classification tasks between the dataset and a classification score obtained from a trained model. This trend reversal occurs for certain choices of the regularization parameter for model training, namely, if the parameter is contained in what we call the pathological regularization regime. For ridge regression, we give necessary and sufficient algebraic conditions on the dataset for the existence of a pathological regularization regime. Moreover, our results provide a data science practitioner with a hands-on tool to avoid hyperparameter choices suffering from trend reversal. We furthermore present numerical results on pathological regularization regimes for logistic regression. Finally, we draw connections to datasets exhibiting Simpson's paradox, providing a natural source of pathological datasets.

Material extrusion is one of the most commonly used approaches within the additive manufacturing processes available. Despite its popularity and related technical advancements, process reliability and quality assurance remain only partially solved. In particular, the surface roughness caused by this process is a key concern. To solve this constraint, experimental plans have been exploited to optimize surface roughness in recent years. However, the latter empirical trial and error process is extremely time- and resource-consuming. Thus, this study aims to avoid using large experimental programs to optimize surface roughness in material extrusion. Methodology. This research provides an in-depth analysis of the effect of several printing parameters: layer height, printing temperature, printing speed and wall thickness. The proposed data-driven predictive modeling approach takes advantage of Machine Learning models to automatically predict surface roughness based on the data gathered from the literature and the experimental data generated for testing. Findings. Using 10-fold cross-validation of data gathered from the literature, the proposed Machine Learning solution attains a 0.93 correlation with a mean absolute percentage error of 13 %. When testing with our own data, the correlation diminishes to 0.79 and the mean absolute percentage error reduces to 8 %. Thus, the solution for predicting surface roughness in extrusion-based printing offers competitive results regarding the variability of the analyzed factors. Originality. As available manufacturing data continue to increase on a daily basis, the ability to learn from these large volumes of data is critical in future manufacturing and science. Specifically, the power of Machine Learning helps model surface roughness with limited experimental tests.

LLMs offer valuable capabilities, yet they can be utilized by malicious users to disseminate deceptive information and generate fake news. The growing prevalence of LLMs poses difficulties in crafting detection approaches that remain effective across various text domains. Additionally, the absence of precautionary measures for AI-generated news on online social platforms is concerning. Therefore, there is an urgent need to improve people's ability to differentiate between news articles written by humans and those produced by LLMs. By providing cues in human-written and LLM-generated news, we can help individuals increase their skepticism towards fake LLM-generated news. This paper aims to elucidate simple markers that help individuals distinguish between articles penned by humans and those created by LLMs. To achieve this, we initially collected a dataset comprising 39k news articles authored by humans or generated by four distinct LLMs with varying degrees of fake. We then devise a metric named Entropy-Shift Authorship Signature (ESAS) based on the information theory and entropy principles. The proposed ESAS ranks terms or entities, like POS tagging, within news articles based on their relevance in discerning article authorship. We demonstrate the effectiveness of our metric by showing the high accuracy attained by a basic method, i.e., TF-IDF combined with logistic regression classifier, using a small set of terms with the highest ESAS score. Consequently, we introduce and scrutinize these top ESAS-ranked terms to aid individuals in strengthening their skepticism towards LLM-generated fake news.

Lexical ambiguity -- where a single wordform takes on distinct, context-dependent meanings -- serves as a useful tool to compare across different large language models' (LLMs') ability to form distinct, contextualized representations of the same stimulus. Few studies have systematically compared LLMs' contextualized word embeddings for languages beyond English. Here, we evaluate multiple bidirectional transformers' (BERTs') semantic representations of Spanish ambiguous nouns in context. We develop a novel dataset of minimal-pair sentences evoking the same or different sense for a target ambiguous noun. In a pre-registered study, we collect contextualized human relatedness judgments for each sentence pair. We find that various BERT-based LLMs' contextualized semantic representations capture some variance in human judgments but fall short of the human benchmark, and for Spanish -- unlike English -- model scale is uncorrelated with performance. We also identify stereotyped trajectories of target noun disambiguation as a proportion of traversal through a given LLM family's architecture, which we partially replicate in English. We contribute (1) a dataset of controlled, Spanish sentence stimuli with human relatedness norms, and (2) to our evolving understanding of the impact that LLM specification (architectures, training protocols) exerts on contextualized embeddings.

Tree-based ensemble methods such as random forests, gradient-boosted trees, and Bayesianadditive regression trees have been successfully used for regression problems in many applicationsand research studies. In this paper, we study ensemble versions of probabilisticregression trees that provide smooth approximations of the objective function by assigningeach observation to each region with respect to a probability distribution. We prove thatthe ensemble versions of probabilistic regression trees considered are consistent, and experimentallystudy their bias-variance trade-off and compare them with the state-of-the-art interms of performance prediction.

Traffic accidents pose a severe global public health issue, leading to 1.19 million fatalities annually, with the greatest impact on individuals aged 5 to 29 years old. This paper addresses the critical need for advanced predictive methods in road safety by conducting a comprehensive review of recent advancements in applying machine learning (ML) techniques to traffic accident analysis and prediction. It examines 191 studies from the last five years, focusing on predicting accident risk, frequency, severity, duration, as well as general statistical analysis of accident data. To our knowledge, this study is the first to provide such a comprehensive review, covering the state-of-the-art across a wide range of domains related to accident analysis and prediction. The review highlights the effectiveness of integrating diverse data sources and advanced ML techniques to improve prediction accuracy and handle the complexities of traffic data. By mapping the current landscape and identifying gaps in the literature, this study aims to guide future research towards significantly reducing traffic-related deaths and injuries by 2030, aligning with the World Health Organization (WHO) targets.

The demand for open and trustworthy AI models points towards widespread publishing of model weights. Consumers of these model weights must be able to act accordingly with the information provided. That said, one of the simplest AI classification models, Logistic Regression (LR), has an unwieldy interpretation of its model weights, with greater difficulties when extending LR to generalised additive models. In this work, we show via a User Study that skilled participants are unable to reliably reproduce the action of small LR models given the trained parameters. As an antidote to this, we define Linearised Additive Models (LAMs), an optimal piecewise linear approximation that augments any trained additive model equipped with a sigmoid link function, requiring no retraining. We argue that LAMs are more interpretable than logistic models -- survey participants are shown to solve model reasoning tasks with LAMs much more accurately than with LR given the same information. Furthermore, we show that LAMs do not suffer from large performance penalties in terms of ROC-AUC and calibration with respect to their logistic counterparts on a broad suite of public financial modelling data.

We provide a novel dimension-free uniform concentration bound for the empirical risk function of constrained logistic regression. Our bound yields a milder sufficient condition for a uniform law of large numbers than conditions derived by the Rademacher complexity argument and McDiarmid's inequality. The derivation is based on the PAC-Bayes approach with second-order expansion and Rademacher-complexity-based bounds for the residual term of the expansion.

The accessibility of vast volumes of unlabeled data has sparked growing interest in semi-supervised learning (SSL) and covariate shift transfer learning (CSTL). In this paper, we present an inference framework for estimating regression coefficients in conditional mean models within both SSL and CSTL settings, while allowing for the misspecification of conditional mean models. We develop an augmented inverse probability weighted (AIPW) method, employing regularized calibrated estimators for both propensity score (PS) and outcome regression (OR) nuisance models, with PS and OR models being sequentially dependent. We show that when the PS model is correctly specified, the proposed estimator achieves consistency, asymptotic normality, and valid confidence intervals, even with possible OR model misspecification and high-dimensional data. Moreover, by suppressing detailed technical choices, we demonstrate that previous methods can be unified within our AIPW framework. Our theoretical findings are verified through extensive simulation studies and a real-world data application.