The presence of Artificial Intelligence (AI) in our society is increasing, which brings with it the need to understand the behaviour of AI mechanisms, including machine learning predictive algorithms fed with tabular data, text, or images, among other types of data. This work focuses on interpretability of predictive models based on functional data. Designing interpretability methods for functional data models implies working with a set of features whose size is infinite. In the context of scalar on function regression, we propose an interpretability method based on the Shapley value for continuous games, a mathematical formulation that allows to fairly distribute a global payoff among a continuous set players. The method is illustrated through a set of experiments with simulated and real data sets. The open source Python package ShapleyFDA is also presented.

Isometry pursuit is a convex algorithm for identifying orthonormal column-submatrices of wide matrices. It consists of a novel normalization method followed by multitask basis pursuit. Applied to Jacobians of putative coordinate functions, it helps identity isometric embeddings from within interpretable dictionaries. We provide theoretical and experimental results justifying this method. For problems involving coordinate selection and diversification, it offers a synergistic alternative to greedy and brute force search.

We propose a natural intrinsic extension of the ridge regression from Euclidean spaces to general manifolds, which relies on Riemannian least-squares fitting, empirical covariance, and Mahalanobis distance. We utilize it for time-series prediction and apply the approach to forecast hurricane tracks and their wind speeds.

This article introduces a novel methodology that integrates singular value decomposition (SVD) with a shallow linear neural network for forecasting high resolution fluid mechanics data. The method, termed LC-SVD-DLinear, combines a low-cost variant of singular value decomposition (LC-SVD) with the DLinear architecture, which decomposes the input features-specifically, the temporal coefficients-into trend and seasonality components, enabling a shallow neural network to capture the non-linear dynamics of the temporal data. This methodology uses under-resolved data, which can either be input directly into the hybrid model or downsampled from high resolution using two distinct techniques provided by the methodology. Working with under-resolved cases helps reduce the overall computational cost. Additionally, we present a variant of the method, LC-HOSVD-DLinear, which combines a low-cost version of the high-order singular value decomposition (LC-HOSVD) algorithm with the DLinear network, designed for high-order data. These approaches have been validated using two datasets: first, a numerical simulation of three-dimensional flow past a circular cylinder at $Re = 220$; and second, an experimental dataset of turbulent flow passing a circular cylinder at $Re = 2600$. The combination of these datasets demonstrates the robustness of the method. The forecasting and reconstruction results are evaluated through various error metrics, including uncertainty quantification. The work developed in this article will be included in the next release of ModelFLOWs-app

TSF is growing in various domains including manufacturing. Although numerous TSF algorithms have been developed recently, the validation and evaluation of algorithms hold substantial value for researchers and practitioners and are missing. This study aims to fill this gap by evaluating the SoTA TSF algorithms on thirteen manufacturing datasets, focusing on their applicability in manufacturing. Each algorithm was selected based on its TSF category to ensure a representative set of algorithms. The evaluation includes different scenarios to evaluate the models using two problem categories and two forecasting horizons. To evaluate the performance, the WAPE was calculated, and additional post hoc analyses were conducted to assess the significance of observed differences. Only algorithms with codes from open-source libraries were utilized, and no hyperparameter tuning was done. This allowed us to evaluate the algorithms as "out-of-the-box" solutions that can be easily implemented, ensuring their usability within the manufacturing by practitioners with limited technical knowledge. This aligns to facilitate the adoption of these techniques in smart manufacturing systems. Based on the results, transformer and MLP-based architectures demonstrated the best performance with MLP-based architecture winning the most scenarios. For univariate TSF, PatchTST emerged as the most robust, particularly for long-term horizons, while for multivariate problems, MLP-based architectures like N-HITS and TiDE showed superior results. The study revealed that simpler algorithms like XGBoost could outperform complex algorithms in certain tasks. These findings challenge the assumption that more sophisticated models produce better results. Additionally, the research highlighted the importance of computational resource considerations, showing variations in runtime and memory usage across different algorithms.

Motivated by the scarcity of proper labels in an astrophysical application, we have developed a novel technique, called Selfish Evolution, which allows for the detection and correction of corrupted labels in a weakly supervised fashion. Unlike methods based on early stopping, we let the model train on the noisy dataset. Only then do we intervene and allow the model to overfit to individual samples. The ``evolution'' of the model during this process reveals patterns with enough information about the noisiness of the label, as well as its correct version. We train a secondary network on these spatiotemporal ``evolution cubes'' to correct potentially corrupted labels. We incorporate the technique in a closed-loop fashion, allowing for automatic convergence towards a mostly clean dataset, without presumptions about the state of the network in which we intervene. We evaluate on the main task of the Supernova-hunting dataset but also demonstrate efficiency on the more standard MNIST dataset.

EEG signals have emerged as a powerful tool in affective brain-computer interfaces, playing a crucial role in emotion recognition. However, current deep transfer learning-based methods for EEG recognition face challenges due to the reliance of both source and target data in model learning, which significantly affect model performance and generalization. To overcome this limitation, we propose a novel framework (PL-DCP) and introduce the concepts of feature disentanglement and prototype inference. The dual prototyping mechanism incorporates both domain and class prototypes: domain prototypes capture individual variations across subjects, while class prototypes represent the ideal class distributions within their respective domains. Importantly, the proposed PL-DCP framework operates exclusively with source data during training, meaning that target data remains completely unseen throughout the entire process. To address label noise, we employ a pairwise learning strategy that encodes proximity relationships between sample pairs, effectively reducing the influence of mislabeled data. Experimental validation on the SEED and SEED-IV datasets demonstrates that PL-DCP, despite not utilizing target data during training, achieves performance comparable to deep transfer learning methods that require both source and target data. This highlights the potential of PL-DCP as an effective and robust approach for EEG-based emotion recognition.

Hierarchical Density-Based Spatial Clustering of Applications with Noise (HDBSCAN) finds meaningful patterns in spatial data by considering density and spatial proximity. As the clustering algorithm is inherently designed for static applications, so have recent studies focused on accelerating the algorithm for static applications using approximate or parallel methods. However, much less attention has been given to dynamic environments, where even a single point insertion or deletion can require recomputing the clustering hierarchy from scratch due to the need of maintaining the minimum spanning tree (MST) over a complete graph. This paper addresses the challenge of enhancing the clustering algorithm for dynamic data. We present an exact algorithm that maintains density information and updates the clustering hierarchy of HDBSCAN during point insertions and deletions. Considering the hardness of adapting the exact algorithm to dynamic data involving modern workloads, we propose an online-offline framework. The online component efficiently summarizes dynamic data using a tree structure, called Bubble-tree, while the offline step performs the static clustering. Experimental results demonstrate that the data summarization adapts well to fully dynamic environments, providing compression quality on par with existing techniques while significantly improving runtime performance of the clustering algorithm in dynamic data workloads.

As machine learning becomes more widespread and is used in more critical applications, it's important to provide explanations for these models, to prevent unintended behavior. Unfortunately, many current interpretability methods struggle with faithfulness. Therefore, this Ph.D. thesis investigates the question "How to provide and ensure faithful explanations for complex general-purpose neural NLP models?" The main thesis is that we should develop new paradigms in interpretability. This is achieved by first developing solid faithfulness metrics and then applying the lessons learned from this investigation to develop new paradigms. The two new paradigms explored are faithfulness measurable models (FMMs) and self-explanations. The idea in self-explanations is to have large language models explain themselves, we identify that current models are not capable of doing this consistently. However, we suggest how this could be achieved. The idea of FMMs is to create models that are designed such that measuring faithfulness is cheap and precise. This makes it possible to optimize an explanation towards maximum faithfulness, which makes FMMs designed to be explained. We find that FMMs yield explanations that are near theoretical optimal in terms of faithfulness. Overall, from all investigations of faithfulness, results show that post-hoc and intrinsic explanations are by default model and task-dependent. However, this was not the case when using FMMs, even with the same post-hoc explanation methods. This shows, that even simple modifications to the model, such as randomly masking the training dataset, as was done in FMMs, can drastically change the situation and result in consistently faithful explanations. This answers the question of how to provide and ensure faithful explanations.

Freight truck-related crashes pose significant challenges, leading to substantial economic losses, injuries, and fatalities, with pronounced spatial disparities across different regions. This study adopts a transport geography perspective to examine spatial justice concerns by employing deep counterfactual inference models to analyze how socioeconomic disparities, road infrastructure, and environmental conditions influence the geographical distribution and severity of freight truck crashes. By integrating road network datasets, socioeconomic attributes, and crash records from the Los Angeles metropolitan area, this research provides a nuanced spatial analysis of how different communities are disproportionately impacted. The results reveal significant spatial disparities in crash severity across areas with varying population densities, income levels, and minority populations, highlighting the pivotal role of infrastructural and environmental improvements in mitigating these disparities. The findings offer insights into targeted, location-specific policy interventions, suggesting enhancements in road infrastructure, lighting, and traffic control systems, particularly in low-income and minority-concentrated areas. This research contributes to the literature on transport geography and spatial equity by providing data-driven insights into effective measures for reducing spatial injustices associated with freight truck-related crashes.