Abstract
The application of machine learning algorithms to predict the mechanism of action (MoA) of drugs can be highly valuable and enable the discovery of new uses for known molecules. The developed methods are usually evaluated with small subsets of MoAs with large support, leading to deceptively good generalization. However, these datasets may not accurately represent a practical use, due to the limited number of target MoAs. Accurate predictions for these rare drugs are important for drug discovery and should be a point of focus. In this work, we explore different training strategies to improve the performance of a well established deep learning model for rare drug MoA prediction. We explored transfer learning by first learning a model for common MoAs, and then using it to initialize the learning of another model for rarer MoAs. We also investigated the use of a cascaded methodology, in which results from an initial model are used as additional inputs to the model for rare MoAs. Finally, we proposed and tested an extension of Mixup data augmentation for multilabel classification. The baseline model showed an AUC of 73.2% for common MoAs and 62.4% for rarer classes. From the investigated methods, Mixup alone failed to improve the performance of a baseline classifier. Nonetheless, the other proposed methods outperformed the baseline for rare classes. Transfer Learning was preferred in predicting classes with less than 10 training samples, while the cascaded classifiers (with Mixup) showed better predictions for MoAs with more than 10 samples. However, the performance for rarer MoAs still lags behind the performance for frequent MoAs and is not sufficient for the reliable prediction of rare MoAs.

Abstract
The most malignant tumors of the central nervous system are adult-type diffuse gliomas. Historically, glioma subtype classification has been based on morphological features. However, since 2016, WHO recognizes that molecular evaluation is critical for subtyping. Among molecular markers, the mutation status of IDH1 and the codeletion of 1p/19q are crucial for the precise diagnosis of these malignancies. In pathology laboratories, however, manual screening for those markers is time-consuming and susceptible to error. To overcome these limitations, we propose a novel multimodal biomarker classification method that integrates image features derived from brain magnetic resonance imaging and histopathological exams. The proposed model consists of two branches, the first branch takes as input a multi-scale Hematoxylin and Eosin whole slide image, and the second branch uses the pre-segmented region of interest from the magnetic resonance imaging. Both branches are based on convolutional neural networks. After passing the exams by the two embedding branches, the output feature vectors are concatenated, and a multi-layer perceptron is used to classify the glioma biomarkers as a multi-class problem. In this work, several fusion strategies were studied, including a cascade model with mid-fusion; a mid-fusion model, a late fusion model, and a mid-context fusion model. The models were tested using a publicly available data set from The Cancer Genome Atlas. Our cross-validated classification models achieved an area under the curve of 0.874, 0.863, and 0.815 for the proposed multimodal, magnetic resonance imaging, and Hematoxylin and Eosin stain slide images respectively, indicating our multimodal model outperforms its unimodal counterparts and the state-of-the-art glioma biomarker classification methods.

Abstract
Human-Robot Collaboration is a critical component of Industry 4.0, contributing to a transition towards more flexible production systems that are quickly adjustable to changing production requirements. This paper aims to increase the natural collaboration level of a robotic engine assembly station by proposing a cognitive system powered by computer vision and deep learning to interpret implicit communication cues of the operator. The proposed system, which is based on a residual convolutional neural network with 34 layers and a long -short term memory recurrent neural network (ResNet-34 + LSTM), obtains assembly context through action recognition of the tasks performed by the operator. The assembly context was then integrated in a collaborative assembly plan capable of autonomously commanding the robot tasks. The proposed model showed a great performance, achieving an accuracy of 96.65% and a temporal mean intersection over union (mIoU) of 94.11% for the action recognition of the considered assembly. Moreover, a task-oriented evaluation showed that the proposed cognitive system was able to leverage the performed human action recognition to command the adequate robot actions with near-perfect accuracy. As such, the proposed system was considered as successful at increasing the natural collaboration level of the considered assembly station.

Abstract
Concerns with the interpretability of ML models are growing as the technology is used in increasingly sensitive domains (e.g., health and public administration). Synthetic data can be used to understand models better, for instance, if the examples are generated close to the frontier between classes. However, data augmentation techniques, such as Generative Adversarial Networks (GAN), have been mostly used to generate training data that leads to better models. We propose a variation of GANs that, given a model, generates realistic data that is classified with low confidence by a given classifier. The generated examples can be used in order to gain insights on the frontier between classes. We empirically evaluate our approach on two well-known image classification benchmark datasets, MNIST and Fashion MNIST. Results show that the approach is able to generate images that are closer to the frontier when compared to the original ones, but still realistic. Manual inspection confirms that some of those images are confusing even for humans.

Abstract
An autonomous vehicle relying on LiDAR data should be able to assess its limitations in real time without depending on external information or additional sensors. The point cloud generated by the sensor is subjected to significant degradation under adverse weather conditions (rain, fog, and snow), which limits the vehicle's visibility and performance. With this in mind, we show that point cloud data contains sufficient information to estimate the weather accurately and present MobileWeatherNet, a LiDAR-only convolutional neural network that uses the bird's-eye view 2D projection to extract point clouds' weather condition and improves state-of-the-art performance by 15% in terms of the balanced accuracy while reducing inference time by 63%. Moreover, this paper demonstrates that among common architectures, the use of the bird's eye view significantly enhances their performance without an increase in complexity. To the extent of our knowledge, this is the first approach that uses deep learning for weather estimation using point cloud data in the form of a bird's-eye-view projection.

Abstract
Early detection of melanoma is crucial for preventing severe complications and increasing the chances of successful treatment. Existing deep learning approaches for melanoma skin lesion diagnosis are deemed black-box models, as they omit the rationale behind the model prediction, compromising the trustworthiness and acceptability of these diagnostic methods. Attempts to provide concept-based explanations are based on post-hoc approaches, which depend on an additional model to derive interpretations. In this paper, we propose an inherently interpretable framework to improve the interpretability of concept-based models by incorporating a hard attention mechanism and a coherence loss term to assure the visual coherence of concept activations by the concept encoder, without requiring the supervision of additional annotations. The proposed framework explains its decision in terms of human-interpretable concepts and their respective contribution to the final prediction, as well as a visual interpretation of the locations where the concept is present in the image. Experiments on skin image datasets demonstrate that our method outperforms existing black-box and concept-based models for skin lesion classification. © 2023 IEEE.