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Idelfonso B. R. Nogueira

Idelfonso B. R. Nogueira appears in the imported research catalog. Authorship, coauthor and topic links are available while profile ownership is still unclaimed.

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3 published item(s)

preprint2026arXiv

UTOPYA: A Multimodal Deep Learning Framework for Physics-Informed Anomaly Detection and Time-Series Prediction

Anomaly detection in batch processes is hindered by transient dynamics, scarce fault labels, and reliance on single-modality sensor data. This work introduces UTOPYA (Unified Temporal Observation for Physics-Informed Anomaly Detection and Time-Series Prediction), a 15.2M-parameter multimodal framework that jointly addresses anomaly detection, time-series prediction, and phase classification in batch distillation by fusing eight data modalities through Feature-wise Linear Modulation (FiLM) conditioned cross-modal attention and gated fusion. A physics-informed regularisation scheme introduced in this work enforces temporal smoothness and thermodynamic monotonicity, while curriculum learning introduces training samples in order of physical difficulty. On the 119-experiment multimodal batch distillation dataset of Arweiler et al. (2026), UTOPYA achieves a window-level test AUROC of 0.832 and 0.874 under multi-signal experiment-level scoring, substantially outperforming four external baselines (PCA, autoencoder, Isolation Forest, and LSTM autoencoder) evaluated under identical conditions (+0.147 window-level AUROC over the best baseline). A multimodal ablation over 15~architectural configurations shows that static context via FiLM conditioning is the key enabler, lifting experiment-level multi-signal AUROC by +0.145 over the unimodal baseline (0.729 to 0.874). Separately, a training ablation across 14 design choices reveals that several widely-adopted techniques, including instance normalisation, Mixup, ensembling, test-time augmentation, and stochastic weight averaging, fail to improve or actively degrade generalisation in this data-scarce setting. These negative results expose a fundamental tension between smoothing-based regularisation and anomaly detection, providing practical guidance for multimodal process monitoring deployment.

preprint2022arXiv

A new Reinforcement Learning framework to discover natural flavor molecules

The flavor is the focal point in the flavor industry, which follows social tendencies and behaviors. The research and development of new flavoring agents and molecules are essential in this field. On the other hand, the development of natural flavors plays a critical role in modern society. In light of this, the present work proposes a novel framework based on Scientific Machine Learning to undertake an emerging problem in flavor engineering and industry. Therefore, this work brings an innovative methodology to design new natural flavor molecules. The molecules are evaluated regarding the synthetic accessibility, the number of atoms, and the likeness to a natural or pseudo-natural product.

preprint2022arXiv

A Robust Scientific Machine Learning for Optimization: A Novel Robustness Theorem

Scientific machine learning (SciML) is a field of increasing interest in several different application fields. In an optimization context, SciML-based tools have enabled the development of more efficient optimization methods. However, implementing SciML tools for optimization must be rigorously evaluated and performed with caution. This work proposes the deductions of a robustness test that guarantees the robustness of multiobjective SciML-based optimization by showing that its results respect the universal approximator theorem. The test is applied in the framework of a novel methodology which is evaluated in a series of benchmarks illustrating its consistency. Moreover, the proposed methodology results are compared with feasible regions of rigorous optimization, which requires a significantly higher computational effort. Hence, this work provides a robustness test for guaranteed robustness in applying SciML tools in multiobjective optimization with lower computational effort than the existent alternative.