Mario Villaizán-Vallelado

Mario Villaizán-Vallelado, Matteo Salvatori, Belén Carro Martinez et al.

All industries are trying to leverage Artificial Intelligence (AI) based on their existing big data which is available in so called tabular form, where each record is composed of a number of heterogeneous continuous and categorical columns also known as features. Deep Learning (DL) has constituted a major breakthrough for AI in fields related to human skills like natural language processing, but its applicability to tabular data has been more challenging. More classical Machine Learning (ML) models like tree-based ensemble ones usually perform better. This paper presents a novel DL model using Graph Neural Network (GNN) more specifically Interaction Network (IN), for contextual embedding and modelling interactions among tabular features. Its results outperform those of a recently published survey with DL benchmark based on five public datasets, also achieving competitive results when compared to boosted-tree solutions.

Bardh Prenkaj, Mario Villaizan-Vallelado, Tobias Leemann et al.

We introduce a novel semi-supervised Graph Counterfactual Explainer (GCE) methodology, Dynamic GRAph Counterfactual Explainer (DyGRACE). It leverages initial knowledge about the data distribution to search for valid counterfactuals while avoiding using information from potentially outdated decision functions in subsequent time steps. Employing two graph autoencoders (GAEs), DyGRACE learns the representation of each class in a binary classification scenario. The GAEs minimise the reconstruction error between the original graph and its learned representation during training. The method involves (i) optimising a parametric density function (implemented as a logistic regression function) to identify counterfactuals by maximising the factual autoencoder's reconstruction error, (ii) minimising the counterfactual autoencoder's error, and (iii) maximising the similarity between the factual and counterfactual graphs. This semi-supervised approach is independent of an underlying black-box oracle. A logistic regression model is trained on a set of graph pairs to learn weights that aid in finding counterfactuals. At inference, for each unseen graph, the logistic regressor identifies the best counterfactual candidate using these learned weights, while the GAEs can be iteratively updated to represent the continual adaptation of the learned graph representation over iterations. DyGRACE is quite effective and can act as a drift detector, identifying distributional drift based on differences in reconstruction errors between iterations. It avoids reliance on the oracle's predictions in successive iterations, thereby increasing the efficiency of counterfactual discovery. DyGRACE, with its capacity for contrastive learning and drift detection, will offer new avenues for semi-supervised learning and explanation generation.

Mario Villaizán-Vallelado, Matteo Salvatori, Carlos Segura et al.

Data imputation and data generation have important applications for many domains, like healthcare and finance, where incomplete or missing data can hinder accurate analysis and decision-making. Diffusion models have emerged as powerful generative models capable of capturing complex data distributions across various data modalities such as image, audio, and time series data. Recently, they have been also adapted to generate tabular data. In this paper, we propose a diffusion model for tabular data that introduces three key enhancements: (1) a conditioning attention mechanism, (2) an encoder-decoder transformer as the denoising network, and (3) dynamic masking. The conditioning attention mechanism is designed to improve the model's ability to capture the relationship between the condition and synthetic data. The transformer layers help model interactions within the condition (encoder) or synthetic data (decoder), while dynamic masking enables our model to efficiently handle both missing data imputation and synthetic data generation tasks within a unified framework. We conduct a comprehensive evaluation by comparing the performance of diffusion models with transformer conditioning against state-of-the-art techniques, such as Variational Autoencoders, Generative Adversarial Networks and Diffusion Models, on benchmark datasets. Our evaluation focuses on the assessment of the generated samples with respect to three important criteria, namely: (1) Machine Learning efficiency, (2) statistical similarity, and (3) privacy risk mitigation. For the task of data imputation, we consider the efficiency of the generated samples across different levels of missing features.