C. Guedes Soares

Inês Gomes, Luís F. Teixeira, Jan N. van Rijn et al.

The increasing use of deep learning across various domains highlights the importance of understanding the decision-making processes of these black-box models. Recent research focusing on the decision boundaries of deep classifiers, relies on generated synthetic instances in areas of low confidence, uncovering samples that challenge both models and humans. We propose a novel approach to enhance the interpretability of deep binary classifiers by selecting representative samples from the decision boundary - prototypes - and applying post-model explanation algorithms. We evaluate the effectiveness of our approach through 2D visualizations and GradientSHAP analysis. Our experiments demonstrate the potential of the proposed method, revealing distinct and compact clusters and diverse prototypes that capture essential features that lead to low-confidence decisions. By offering a more aggregated view of deep classifiers' decision boundaries, our work contributes to the responsible development and deployment of reliable machine learning systems.

José Leites, Vitor Cerqueira, Carlos Soares

Most forecasting methods use recent past observations (lags) to model the future values of univariate time series. Selecting an adequate number of lags is important for training accurate forecasting models. Several approaches and heuristics have been devised to solve this task. However, there is no consensus about what the best approach is. Besides, lag selection procedures have been developed based on local models and classical forecasting techniques such as ARIMA. We bridge this gap in the literature by carrying out an extensive empirical analysis of different lag selection methods. We focus on deep learning methods trained in a global approach, i.e., on datasets comprising multiple univariate time series. The experiments were carried out using three benchmark databases that contain a total of 2411 univariate time series. The results indicate that the lag size is a relevant parameter for accurate forecasts. In particular, excessively small or excessively large lag sizes have a considerable negative impact on forecasting performance. Cross-validation approaches show the best performance for lag selection, but this performance is comparable with simple heuristics.

Vitor Cerqueira, Moisés Santos, Luis Roque et al.

Deep learning approaches are increasingly used to tackle forecasting tasks involving datasets with multiple univariate time series. A key factor in the successful application of these methods is a large enough training sample size, which is not always available. Synthetic data generation techniques can be applied in these scenarios to augment the dataset. Data augmentation is typically applied offline before training a model. However, when training with mini-batches, some batches may contain a disproportionate number of synthetic samples that do not align well with the original data characteristics. This work introduces an online data augmentation framework that generates synthetic samples during the training of neural networks. By creating synthetic samples for each batch alongside their original counterparts, we maintain a balanced representation between real and synthetic data throughout the training process. This approach fits naturally with the iterative nature of neural network training and eliminates the need to store large augmented datasets. We validated the proposed framework using 3797 time series from 6 benchmark datasets, three neural architectures, and seven synthetic data generation techniques. The experiments suggest that online data augmentation leads to better forecasting performance compared to offline data augmentation or no augmentation approaches. The framework and experiments are publicly available.

Vitor Cerqueira, Luis Roque, Carlos Soares

Accurate evaluation of forecasting models is essential for ensuring reliable predictions. Current practices for evaluating and comparing forecasting models focus on summarising performance into a single score, using metrics such as SMAPE. While convenient, averaging performance over all samples dilutes relevant information about model behavior under varying conditions. This limitation is especially problematic for time series forecasting, where multiple layers of averaging--across time steps, horizons, and multiple time series in a dataset--can mask relevant performance variations. We address this limitation by proposing ModelRadar, a framework for evaluating univariate time series forecasting models across multiple aspects, such as stationarity, presence of anomalies, or forecasting horizons. We demonstrate the advantages of this framework by comparing 24 forecasting methods, including classical approaches and different machine learning algorithms. NHITS, a state-of-the-art neural network architecture, performs best overall but its superiority varies with forecasting conditions. For instance, concerning the forecasting horizon, we found that NHITS (and also other neural networks) only outperforms classical approaches for multi-step ahead forecasting. Another relevant insight is that classical approaches such as ETS or Theta are notably more robust in the presence of anomalies. These and other findings highlight the importance of aspect-based model evaluation for both practitioners and researchers. ModelRadar is available as a Python package.

Aníbal Silva, André Restivo, Moisés Santos et al.

Generative modeling for tabular data has recently gained significant attention in the Deep Learning domain. Its objective is to estimate the underlying distribution of the data. However, estimating the underlying distribution of tabular data has its unique challenges. Specifically, this data modality is composed of mixed types of features, making it a non-trivial task for a model to learn intra-relationships between them. One approach to address mixture is to embed each feature into a continuous matrix via tokenization, while a solution to capture intra-relationships between variables is via the transformer architecture. In this work, we empirically investigate the potential of using embedding representations on tabular data generation, utilizing tensor contraction layers and transformers to model the underlying distribution of tabular data within Variational Autoencoders. Specifically, we compare four architectural approaches: a baseline VAE model, two variants that focus on tensor contraction layers and transformers respectively, and a hybrid model that integrates both techniques. Our empirical study, conducted across multiple datasets from the OpenML CC18 suite, compares models over density estimation and Machine Learning efficiency metrics. The main takeaway from our results is that leveraging embedding representations with the help of tensor contraction layers improves density estimation metrics, albeit maintaining competitive performance in terms of machine learning efficiency.

Vitor Cerqueira, Luis Roque, Carlos Soares

Accurate evaluation of forecasting models is essential for ensuring reliable predictions. Current practices for evaluating and comparing forecasting models focus on summarising performance into a single score, using metrics such as SMAPE. We hypothesize that averaging performance over all samples dilutes relevant information about the relative performance of models. Particularly, conditions in which this relative performance is different than the overall accuracy. We address this limitation by proposing a novel framework for evaluating univariate time series forecasting models from multiple perspectives, such as one-step ahead forecasting versus multi-step ahead forecasting. We show the advantages of this framework by comparing a state-of-the-art deep learning approach with classical forecasting techniques. While classical methods (e.g. ARIMA) are long-standing approaches to forecasting, deep neural networks (e.g. NHITS) have recently shown state-of-the-art forecasting performance in benchmark datasets. We conducted extensive experiments that show NHITS generally performs best, but its superiority varies with forecasting conditions. For instance, concerning the forecasting horizon, NHITS only outperforms classical approaches for multi-step ahead forecasting. Another relevant insight is that, when dealing with anomalies, NHITS is outperformed by methods such as Theta. These findings highlight the importance of aspect-based model evaluation.