Knowledge graphs, modeling multi-relational data, improve numerous applications such as question answering or graph logical reasoning. Many graph neural networks for such data emerged recently, often outperforming shallow architectures. However, the design of such multi-relational graph neural networks is ad-hoc, driven mainly by intuition and empirical insights. Up to now, their expressivity, their relation to each other, and their (practical) learning performance is poorly understood. Here, we initiate the study of deriving a more principled understanding of multi-relational graph neural networks. Namely, we investigate the limitations in the expressive power of the well-known Relational GCN and Compositional GCN architectures and shed some light on their practical learning performance. By aligning both architectures with a suitable version of the Weisfeiler-Leman test, we establish under which conditions both models have the same expressive power in distinguishing non-isomorphic (multi-relational) graphs or vertices with different structural roles. Further, by leveraging recent progress in designing expressive graph neural networks, we introduce the $k$-RN architecture that provably overcomes the expressiveness limitations of the above two architectures. Empirically, we confirm our theoretical findings in a vertex classification setting over small and large multi-relational graphs.

Uncertainty quantification is crucial to inverse problems, as it could provide decision-makers with valuable information about the inversion results. For example, seismic inversion is a notoriously ill-posed inverse problem due to the band-limited and noisy nature of seismic data. It is therefore of paramount importance to quantify the uncertainties associated to the inversion process to ease the subsequent interpretation and decision making processes. Within this framework of reference, sampling from a target posterior provides a fundamental approach to quantifying the uncertainty in seismic inversion. However, selecting appropriate prior information in a probabilistic inversion is crucial, yet non-trivial, as it influences the ability of a sampling-based inference in providing geological realism in the posterior samples. To overcome such limitations, we present a regularized variational inference framework that performs posterior inference by implicitly regularizing the Kullback-Leibler divergence loss with a CNN-based denoiser by means of the Plug-and-Play methods. We call this new algorithm Plug-and-Play Stein Variational Gradient Descent (PnP-SVGD) and demonstrate its ability in producing high-resolution, trustworthy samples representative of the subsurface structures, which we argue could be used for post-inference tasks such as reservoir modelling and history matching. To validate the proposed method, numerical tests are performed on both synthetic and field post-stack seismic data.

在过去的十年中，基因组数据的可用性已成倍增长，这主要是由于新测序技术的发展。基于从增加的基因组数据中提取的基因（和基因产物）之间的相互作用，许多研究集中在基因与功能之间的关联鉴定上。尽管这些研究表现出了很大的希望，但用功能注释基因的问题仍然是一个悬而未决的挑战。在这项工作中，我们提出了一种检测层次多标签分类数据集中缺失注释的方法。我们提出了一种通过将汇总概率计算到每个实例的从叶子到根的类路径来利用类层次结构的方法。提出的方法是在预测缺失基因函数注释的背景下提出的，其中这些汇总概率被进一步用于选择一组通过体内实验验证的注释。各种大米的Oriza Sativa Japonica的实验，将类别的层次结合到该方法中通常会改善预测性能，而我们所提出的方法与文献相比，我们提出的方法可以提高结果。

In the last years, the number of IoT devices deployed has suffered an undoubted explosion, reaching the scale of billions. However, some new cybersecurity issues have appeared together with this development. Some of these issues are the deployment of unauthorized devices, malicious code modification, malware deployment, or vulnerability exploitation. This fact has motivated the requirement for new device identification mechanisms based on behavior monitoring. Besides, these solutions have recently leveraged Machine and Deep Learning techniques due to the advances in this field and the increase in processing capabilities. In contrast, attackers do not stay stalled and have developed adversarial attacks focused on context modification and ML/DL evaluation evasion applied to IoT device identification solutions. This work explores the performance of hardware behavior-based individual device identification, how it is affected by possible context- and ML/DL-focused attacks, and how its resilience can be improved using defense techniques. In this sense, it proposes an LSTM-CNN architecture based on hardware performance behavior for individual device identification. Then, previous techniques have been compared with the proposed architecture using a hardware performance dataset collected from 45 Raspberry Pi devices running identical software. The LSTM-CNN improves previous solutions achieving a +0.96 average F1-Score and 0.8 minimum TPR for all devices. Afterward, context- and ML/DL-focused adversarial attacks were applied against the previous model to test its robustness. A temperature-based context attack was not able to disrupt the identification. However, some ML/DL state-of-the-art evasion attacks were successful. Finally, adversarial training and model distillation defense techniques are selected to improve the model resilience to evasion attacks, without degrading its performance.

Cybercriminals are moving towards zero-day attacks affecting resource-constrained devices such as single-board computers (SBC). Assuming that perfect security is unrealistic, Moving Target Defense (MTD) is a promising approach to mitigate attacks by dynamically altering target attack surfaces. Still, selecting suitable MTD techniques for zero-day attacks is an open challenge. Reinforcement Learning (RL) could be an effective approach to optimize the MTD selection through trial and error, but the literature fails when i) evaluating the performance of RL and MTD solutions in real-world scenarios, ii) studying whether behavioral fingerprinting is suitable for representing SBC's states, and iii) calculating the consumption of resources in SBC. To improve these limitations, the work at hand proposes an online RL-based framework to learn the correct MTD mechanisms mitigating heterogeneous zero-day attacks in SBC. The framework considers behavioral fingerprinting to represent SBCs' states and RL to learn MTD techniques that mitigate each malicious state. It has been deployed on a real IoT crowdsensing scenario with a Raspberry Pi acting as a spectrum sensor. More in detail, the Raspberry Pi has been infected with different samples of command and control malware, rootkits, and ransomware to later select between four existing MTD techniques. A set of experiments demonstrated the suitability of the framework to learn proper MTD techniques mitigating all attacks (except a harmfulness rootkit) while consuming <1 MB of storage and utilizing <55% CPU and <80% RAM.

We present a Machine Learning (ML) study case to illustrate the challenges of clinical translation for a real-time AI-empowered echocardiography system with data of ICU patients in LMICs. Such ML case study includes data preparation, curation and labelling from 2D Ultrasound videos of 31 ICU patients in LMICs and model selection, validation and deployment of three thinner neural networks to classify apical four-chamber view. Results of the ML heuristics showed the promising implementation, validation and application of thinner networks to classify 4CV with limited datasets. We conclude this work mentioning the need for (a) datasets to improve diversity of demographics, diseases, and (b) the need of further investigations of thinner models to be run and implemented in low-cost hardware to be clinically translated in the ICU in LMICs. The code and other resources to reproduce this work are available at https://github.com/vital-ultrasound/ai-assisted-echocardiography-for-low-resource-countries.

$ $With recent advances in CNNs, exceptional improvements have been made in semantic segmentation of high resolution images in terms of accuracy and latency. However, challenges still remain in detecting objects in crowded scenes, large scale variations, partial occlusion, and distortions, while still maintaining mobility and latency. We introduce a fast and efficient convolutional neural network, ASBU-Net, for semantic segmentation of high resolution images that addresses these problems and uses no novelty layers for ease of quantization and embedded hardware support. ASBU-Net is based on a new feature extraction module, atrous space bender layer (ASBL), which is efficient in terms of computation and memory. The ASB layers form a building block that is used to make ASBNet. Since this network does not use any special layers it can be easily implemented, quantized and deployed on FPGAs and other hardware with limited memory. We present experiments on resource and accuracy trade-offs and show strong performance compared to other popular models.

Social insects such as ants communicate via pheromones which allows them to coordinate their activity and solve complex tasks as a swarm, e.g. foraging for food. This behaviour was shaped through evolutionary processes. In computational models, self-coordination in swarms has been implemented using probabilistic or action rules to shape the decision of each agent and the collective behaviour. However, manual tuned decision rules may limit the behaviour of the swarm. In this work we investigate the emergence of self-coordination and communication in evolved swarms without defining any rule. We evolve a swarm of agents representing an ant colony. We use a genetic algorithm to optimize a spiking neural network (SNN) which serves as an artificial brain to control the behaviour of each agent. The goal of the colony is to find optimal ways to forage for food in the shortest amount of time. In the evolutionary phase, the ants are able to learn to collaborate by depositing pheromone near food piles and near the nest to guide its cohorts. The pheromone usage is not encoded into the network; instead, this behaviour is established through the optimization procedure. We observe that pheromone-based communication enables the ants to perform better in comparison to colonies where communication did not emerge. We assess the foraging performance by comparing the SNN based model to a rule based system. Our results show that the SNN based model can complete the foraging task more efficiently in a shorter time. Our approach illustrates that even in the absence of pre-defined rules, self coordination via pheromone emerges as a result of the network optimization. This work serves as a proof of concept for the possibility of creating complex applications utilizing SNNs as underlying architectures for multi-agent interactions where communication and self-coordination is desired.

Deep learning models have shown promising results in recognizing depressive states using video-based facial expressions. While successful models typically leverage using 3D-CNNs or video distillation techniques, the different use of pretraining, data augmentation, preprocessing, and optimization techniques across experiments makes it difficult to make fair architectural comparisons. We propose instead to enhance two simple models based on ResNet-50 that use only static spatial information by using two specific face alignment methods and improved data augmentation, optimization, and scheduling techniques. Our extensive experiments on benchmark datasets obtain similar results to sophisticated spatio-temporal models for single streams, while the score-level fusion of two different streams outperforms state-of-the-art methods. Our findings suggest that specific modifications in the preprocessing and training process result in noticeable differences in the performance of the models and could hide the actual originally attributed to the use of different neural network architectures.

Intensive Care in-hospital mortality prediction has various clinical applications. Neural prediction models, especially when capitalising on clinical notes, have been put forward as improvement on currently existing models. However, to be acceptable these models should be performant and transparent. This work studies different attention mechanisms for clinical neural prediction models in terms of their discrimination and calibration. Specifically, we investigate sparse attention as an alternative to dense attention weights in the task of in-hospital mortality prediction from clinical notes. We evaluate the attention mechanisms based on: i) local self-attention over words in a sentence, and ii) global self-attention with a transformer architecture across sentences. We demonstrate that the sparse mechanism approach outperforms the dense one for the local self-attention in terms of predictive performance with a publicly available dataset, and puts higher attention to prespecified relevant directive words. The performance at the sentence level, however, deteriorates as sentences including the influential directive words tend to be dropped all together.