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Publications

Publications by CTM

2025

Deep Learning-Driven Integration of Multimodal Data for Material Property Predictions

Authors
Costa, V; Oliveira, JM; Ramos, P;

Publication

Abstract
This study investigates the integration of deep learning for single-modality and multimodal data within materials science. Traditional methods for materials discovery are often resource-intensive and slow, prompting the exploration of machine learning to streamline the prediction of material properties. While single-modality models have been effective, they often miss the complexities inherent in material data. The paper explores multimodal data integration—combining text, images, and tabular data—and demonstrates its potential to improve predictive accuracy. Utilizing the Alexandria dataset, the research introduces a custom methodology involving multimodal data creation, model tuning with AutoGluon framework, and evaluation through targeted fusion techniques. Results reveal that multimodal approaches enhance predictive accuracy and efficiency, particularly when text and image data are integrated. However, challenges remain in predicting complex features like band gaps. Future directions include incorporating new data types and refining specialized models to improve materials discovery and innovation.

2025

Optimizing Credit Risk Prediction for Peer-to-Peer Lending Using Machine Learning

Authors
Souadda, LI; Halitim, AR; Benilles, B; Oliveira, JM; Ramos, P;

Publication

Abstract
This study investigates the effectiveness of different hyperparameter tuning strategies for peer-to-peer risk management. Ensemble learning techniques have shown superior performance in this field compared to individual classifiers and traditional statistical methods. However, model performance is influenced not only by the choice of algorithm but also by hyperparameter tuning, which impacts both predictive accuracy and computational efficiency. This research compares the performance and efficiency of three widely used hyperparameter tuning methods, Grid Search, Random Search, and Optuna, across XGBoost, LightGBM, and Logistic Regression models. The analysis uses the Lending Club dataset, spanning from 2007 Q1 to 2020 Q3, with comprehensive data preprocessing to address missing values, class imbalance, and feature engineering. Model explainability is assessed through feature importance analysis to identify key drivers of default probability. The findings reveal comparable predictive performance among the tuning methods, evaluated using metrics such as G-mean, sensitivity, and specificity. However, Optuna significantly outperforms the others in computational efficiency; for instance, it is 10.7 times faster than Grid Search for XGBoost and 40.5 times faster for LightGBM. Additionally, variations in feature importance rankings across tuning methods influence model interpretability and the prioritization of risk factors. These insights underscore the importance of selecting appropriate hyperparameter tuning strategies to optimize both performance and explainability in peer-to-peer risk management models.

2025

Optimizing Credit Risk Prediction for Peer-to-Peer Lending Using Machine Learning

Authors
Souadda, LI; Halitim, AR; Benilles, B; Oliveira, JM; Ramos, P;

Publication
Forecasting

Abstract
Hyperparameter optimization (HPO) is critical for enhancing the predictive performance of machine learning models in credit risk assessment for peer-to-peer (P2P) lending. This study evaluates four HPO methods, Grid Search, Random Search, Hyperopt, and Optuna, across four models, Logistic Regression, Random Forest, XGBoost, and LightGBM, using three real-world datasets (Lending Club, Australia, Taiwan). We assess predictive accuracy (AUC, Sensitivity, Specificity, G-Mean), computational efficiency, robustness, and interpretability. LightGBM achieves the highest AUC (e.g., 70.77% on Lending Club, 93.25% on Australia, 77.85% on Taiwan), with XGBoost performing comparably. Bayesian methods (Hyperopt, Optuna) match or approach Grid Search’s accuracy while reducing runtime by up to 75.7-fold (e.g., 3.19 vs. 241.47 min for LightGBM on Lending Club). A sensitivity analysis confirms robust hyperparameter configurations, with AUC variations typically below 0.4% under ±10% perturbations. A feature importance analysis, using gain and SHAP metrics, identifies debt-to-income ratio and employment title as key default predictors, with stable rankings (Spearman correlation > 0.95, p<0.01) across tuning methods, enhancing model interpretability. Operational impact depends on data quality, scalable infrastructure, fairness audits for features like employment title, and stakeholder collaboration to ensure compliance with regulations like the EU AI Act and U.S. Equal Credit Opportunity Act. These findings advocate Bayesian HPO and ensemble models in P2P lending, offering scalable, transparent, and fair solutions for default prediction, with future research suggested to explore advanced resampling, cost-sensitive metrics, and feature interactions.

2025

A survey on cell nuclei instance segmentation and classification: Leveraging context and attention

Authors
Nunes, JD; Montezuma, D; Oliveira, D; Pereira, T; Cardoso, JS;

Publication
MEDICAL IMAGE ANALYSIS

Abstract
Nuclear-derived morphological features and biomarkers provide relevant insights regarding the tumour microenvironment, while also allowing diagnosis and prognosis in specific cancer types. However, manually annotating nuclei from the gigapixel Haematoxylin and Eosin (H&E)-stained Whole Slide Images (WSIs) is a laborious and costly task, meaning automated algorithms for cell nuclei instance segmentation and classification could alleviate the workload of pathologists and clinical researchers and at the same time facilitate the automatic extraction of clinically interpretable features for artificial intelligence (AI) tools. But due to high intra- and inter-class variability of nuclei morphological and chromatic features, as well as H&Estains susceptibility to artefacts, state-of-the-art algorithms cannot correctly detect and classify instances with the necessary performance. In this work, we hypothesize context and attention inductive biases in artificial neural networks (ANNs) could increase the performance and generalization of algorithms for cell nuclei instance segmentation and classification. To understand the advantages, use-cases, and limitations of context and attention-based mechanisms in instance segmentation and classification, we start by reviewing works in computer vision and medical imaging. We then conduct a thorough survey on context and attention methods for cell nuclei instance segmentation and classification from H&E-stained microscopy imaging, while providing a comprehensive discussion of the challenges being tackled with context and attention. Besides, we illustrate some limitations of current approaches and present ideas for future research. As a case study, we extend both a general (Mask-RCNN) and a customized (HoVer-Net) instance segmentation and classification methods with context- and attention-based mechanisms and perform a comparative analysis on a multicentre dataset for colon nuclei identification and counting. Although pathologists rely on context at multiple levels while paying attention to specific Regions of Interest (RoIs) when analysing and annotating WSIs, our findings suggest translating that domain knowledge into algorithm design is no trivial task, but to fully exploit these mechanisms in ANNs, the scientific understanding of these methods should first be addressed.

2025

MST-KD: Multiple Specialized Teachers Knowledge Distillation for Fair Face Recognition

Authors
Caldeira, E; Cardoso, JS; Sequeira, AF; Neto, PC;

Publication
COMPUTER VISION-ECCV 2024 WORKSHOPS, PT XV

Abstract
As in school, one teacher to cover all subjects is insufficient to distill equally robust information to a student. Hence, each subject is taught by a highly specialised teacher. Following a similar philosophy, we propose a multiple specialized teacher framework to distill knowledge to a student network. In our approach, directed at face recognition use cases, we train four teachers on one specific ethnicity, leading to four highly specialized and biased teachers. Our strategy learns a project of these four teachers into a common space and distill that information to a student network. Our results highlighted increased performance and reduced bias for all our experiments. In addition, we further show that having biased/specialized teachers is crucial by showing that our approach achieves better results than when knowledge is distilled from four teachers trained on balanced datasets. Our approach represents a step forward to the understanding of the importance of ethnicity-specific features.

2025

CNN explanation methods for ordinal regression tasks

Authors
Barbero-Gómez, J; Cruz, RPM; Cardoso, JS; Gutiérrez, PA; Hervás-Martínez, C;

Publication
NEUROCOMPUTING

Abstract
The use of Convolutional Neural Network (CNN) models for image classification tasks has gained significant popularity. However, the lack of interpretability in CNN models poses challenges for debugging and validation. To address this issue, various explanation methods have been developed to provide insights into CNN models. This paper focuses on the validity of these explanation methods for ordinal regression tasks, where the classes have a predefined order relationship. Different modifications are proposed for two explanation methods to exploit the ordinal relationships between classes: Grad-CAM based on Ordinal Binary Decomposition (GradOBDCAM) and Ordinal Information Bottleneck Analysis (OIBA). The performance of these modified methods is compared to existing popular alternatives. Experimental results demonstrate that GradOBD-CAM outperforms other methods in terms of interpretability for three out of four datasets, while OIBA achieves superior performance compared to IBA.

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