Ana Carolina Lorena

Arthur Dantas Mangussi, Ricardo Cardoso Pereira, Ana Carolina Lorena et al.

Data imputation is a cornerstone technique for handling missing values in real-world datasets, which are often plagued by missingness. Despite recent progress, prior studies on Large Language Models-based imputation remain limited by scalability challenges, restricted cross-model comparisons, and evaluations conducted on small or domain-specific datasets. Furthermore, heterogeneous experimental protocols and inconsistent treatment of missingness mechanisms (MCAR, MAR, and MNAR) hinder systematic benchmarking across methods. This work investigates the robustness of Large Language Models for missing data imputation in tabular datasets using a zero-shot prompt engineering approach. To this end, we present a comprehensive benchmarking study comparing five widely used LLMs against six state-of-the-art imputation baselines. The experimental design evaluates these methods across 29 datasets (including nine synthetic datasets) under MCAR, MAR, and MNAR mechanisms, with missing rates of up to 20\%. The results demonstrate that leading LLMs, particularly Gemini 3.0 Flash and Claude 4.5 Sonnet, consistently achieve superior performance on real-world open-source datasets compared to traditional methods. However, this advantage appears to be closely tied to the models' prior exposure to domain-specific patterns learned during pre-training on internet-scale corpora. In contrast, on synthetic datasets, traditional methods such as MICE outperform LLMs, suggesting that LLM effectiveness is driven by semantic context rather than purely statistical reconstruction. Furthermore, we identify a clear trade-off: while LLMs excel in imputation quality, they incur significantly higher computational time and monetary costs. Overall, this study provides a large-scale comparative analysis, positioning LLMs as promising semantics-driven imputers for complex tabular data.

Matheus Camilo da Silva, Leonardo Arrighi, Ana Carolina Lorena et al.

AutoClustering methods aim to automate unsupervised learning tasks, including algorithm selection (AS), hyperparameter optimization (HPO), and pipeline synthesis (PS), by often leveraging meta-learning over dataset meta-features. While these systems often achieve strong performance, their recommendations are often difficult to justify: the influence of dataset meta-features on algorithm and hyperparameter choices is typically not exposed, limiting reliability, bias diagnostics, and efficient meta-feature engineering. This limits reliability and diagnostic insight for further improvements. In this work, we investigate the explainability of the meta-models in AutoClustering. We first review 22 existing methods and organize their meta-features into a structured taxonomy. We then apply a global explainability technique (i.e., Decision Predicate Graphs) to assess feature importance within meta-models from selected frameworks. Finally, we use local explainability tools such as SHAP (SHapley Additive exPlanations) to analyse specific clustering decisions. Our findings highlight consistent patterns in meta-feature relevance, identify structural weaknesses in current meta-learning strategies that can distort recommendations, and provide actionable guidance for more interpretable Automated Machine Learning (AutoML) design. This study therefore offers a practical foundation for increasing decision transparency in unsupervised learning automation.

Maria Gabriela Valeriano, David Kohan Marzagão, Alfredo Montelongo et al.

Machine Learning (ML) models are widely used in high-stakes domains such as healthcare, where the reliability of predictions is critical. However, these models often fail to account for uncertainty, providing predictions even with low confidence. This work proposes a novel two-step data-centric approach to enhance the performance of ML models by improving data quality and filtering low-confidence predictions. The first step involves leveraging Instance Hardness (IH) to filter problematic instances during training, thereby refining the dataset. The second step introduces a confidence-based rejection mechanism during inference, ensuring that only reliable predictions are retained. We evaluate our approach using three real-world healthcare datasets, demonstrating its effectiveness at improving model reliability while balancing predictive performance and rejection rate. Additionally, we use alternative criteria - influence values for filtering and uncertainty for rejection - as baselines to evaluate the efficiency of the proposed method. The results demonstrate that integrating IH filtering with confidence-based rejection effectively enhances model performance while preserving a large proportion of instances. This approach provides a practical method for deploying ML systems in safety-critical applications.

Rodrigo Francisquini, Ana Carolina Lorena, Mariá C. V. Nascimento

Several applications have a community structure where the nodes of the same community share similar attributes. Anomaly or outlier detection in networks is a relevant and widely studied research topic with applications in various domains. Despite a significant amount of anomaly detection frameworks, there is a dearth on the literature of methods that consider both attributed graphs and the community structure of the networks. This paper proposes a community-based anomaly detection algorithm using a spectral graph-based filter that includes the network community structure into the Laplacian matrix adopted as the basis for the Fourier transform. In addition, the choice of the cutoff frequency of the filter considers the number of communities found. In computational experiments, the proposed strategy, called SpecF, showed an outstanding performance in successfully identifying even discrete anomalies. SpecF is better than a baseline disregarding the community structure, especially for networks with a higher community overlapping. Additionally, we present a case study to validate the proposed method to study the dissemination of COVID-19 in the different districts of São José dos Campos, Brazil.

Pedro Yuri Arbs Paiva, Kate Smith-Miles, Maria Gabriela Valeriano et al.

For building successful Machine Learning (ML) systems, it is imperative to have high quality data and well tuned learning models. But how can one assess the quality of a given dataset? And how can the strengths and weaknesses of a model on a dataset be revealed? Our new tool PyHard employs a methodology known as Instance Space Analysis (ISA) to produce a hardness embedding of a dataset relating the predictive performance of multiple ML models to estimated instance hardness meta-features. This space is built so that observations are distributed linearly regarding how hard they are to classify. The user can visually interact with this embedding in multiple ways and obtain useful insights about data and algorithmic performance along the individual observations of the dataset. We show in a COVID prognosis dataset how this analysis supported the identification of pockets of hard observations that challenge ML models and are therefore worth closer inspection, and the delineation of regions of strengths and weaknesses of ML models.