In this work a novel recommender system (RS) for Tourism is presented. The RS is context aware as is now the rule in the state-of-the-art for recommender systems and works on top of a tourism ontology which is used to group the different items being offered. The presented RS mixes different types of recommenders creating an ensemble which changes on the basis of the RS's maturity. Starting from simple content-based recommendations and iteratively adding popularity, demographic and collaborative filtering methods as rating density and user cardinality increases. The result is a RS that mutates during its lifetime and uses a tourism ontology and natural language processing (NLP) to correctly bin the items to specific item categories and meta categories in the ontology. This item classification facilitates the association between user preferences and items, as well as allowing to better classify and group the items being offered, which in turn is particularly useful for context-aware filtering.

Evaluating new techniques on realistic datasets plays a crucial role in the development of ML research and its broader adoption by practitioners. In recent years, there has been a significant increase of publicly available unstructured data resources for computer vision and NLP tasks. However, tabular data -- which is prevalent in many high-stakes domains -- has been lagging behind. To bridge this gap, we present Bank Account Fraud (BAF), the first publicly available privacy-preserving, large-scale, realistic suite of tabular datasets. The suite was generated by applying state-of-the-art tabular data generation techniques on an anonymized,real-world bank account opening fraud detection dataset. This setting carries a set of challenges that are commonplace in real-world applications, including temporal dynamics and significant class imbalance. Additionally, to allow practitioners to stress test both performance and fairness of ML methods, each dataset variant of BAF contains specific types of data bias. With this resource, we aim to provide the research community with a more realistic, complete, and robust test bed to evaluate novel and existing methods.

近年来，机器学习算法在多种高风险决策应用程序中变得无处不在。机器学习算法从数据中学习模式的无与伦比的能力也使它们能够融合嵌入的偏差。然后，一个有偏见的模型可以做出不成比例地损害社会中某些群体的决策 - 例如，他们获得金融服务的机会。对这个问题的认识引起了公平ML领域，该领域的重点是研究，衡量和缓解算法预测的不公平性，相对于一组受保护的群体（例如种族或性别）。但是，算法不公平的根本原因仍然难以捉摸，研究人员在指责ML算法或训练的数据之间进行了划分。在这项工作中，我们坚持认为，算法不公平源于数据中模型与偏见之间的相互作用，而不是源于其中任何一个的孤立贡献。为此，我们提出了一种分类法来表征数据偏差，并研究了一系列关于公平盲目的ML算法在不同数据偏见设置下表现出的公平性准确性权衡的假设。在我们的现实帐户开放欺诈用例中，我们发现每个设置都需要特定的权衡，从而影响了预期价值和差异的公平性 - 后者通常没有注意到。此外，我们展示了算法在准确性和公平性方面如何根据影响数据的偏差进行比较。最后，我们注意到，在特定的数据偏见条件下，简单的预处理干预措施可以成功平衡小组错误率，而在更复杂的设置中相同的技术失败。

Detecting anomalous data within time series is a very relevant task in pattern recognition and machine learning, with many possible applications that range from disease prevention in medicine, e.g., detecting early alterations of the health status before it can clearly be defined as "illness" up to monitoring industrial plants. Regarding this latter application, detecting anomalies in an industrial plant's status firstly prevents serious damages that would require a long interruption of the production process. Secondly, it permits optimal scheduling of maintenance interventions by limiting them to urgent situations. At the same time, they typically follow a fixed prudential schedule according to which components are substituted well before the end of their expected lifetime. This paper describes a case study regarding the monitoring of the status of Laser-guided Vehicles (LGVs) batteries, on which we worked as our contribution to project SUPER (Supercomputing Unified Platform, Emilia Romagna) aimed at establishing and demonstrating a regional High-Performance Computing platform that is going to represent the main Italian supercomputing environment for both computing power and data volume.

Neural style transfer is a deep learning technique that produces an unprecedentedly rich style transfer from a style image to a content image and is particularly impressive when it comes to transferring style from a painting to an image. It was originally achieved by solving an optimization problem to match the global style statistics of the style image while preserving the local geometric features of the content image. The two main drawbacks of this original approach is that it is computationally expensive and that the resolution of the output images is limited by high GPU memory requirements. Many solutions have been proposed to both accelerate neural style transfer and increase its resolution, but they all compromise the quality of the produced images. Indeed, transferring the style of a painting is a complex task involving features at different scales, from the color palette and compositional style to the fine brushstrokes and texture of the canvas. This paper provides a solution to solve the original global optimization for ultra-high resolution images, enabling multiscale style transfer at unprecedented image sizes. This is achieved by spatially localizing the computation of each forward and backward passes through the VGG network. Extensive qualitative and quantitative comparisons show that our method produces a style transfer of unmatched quality for such high resolution painting styles.

Artificial intelligence (AI) in the form of deep learning bears promise for drug discovery and chemical biology, $\textit{e.g.}$, to predict protein structure and molecular bioactivity, plan organic synthesis, and design molecules $\textit{de novo}$. While most of the deep learning efforts in drug discovery have focused on ligand-based approaches, structure-based drug discovery has the potential to tackle unsolved challenges, such as affinity prediction for unexplored protein targets, binding-mechanism elucidation, and the rationalization of related chemical kinetic properties. Advances in deep learning methodologies and the availability of accurate predictions for protein tertiary structure advocate for a $\textit{renaissance}$ in structure-based approaches for drug discovery guided by AI. This review summarizes the most prominent algorithmic concepts in structure-based deep learning for drug discovery, and forecasts opportunities, applications, and challenges ahead.

This work presents a set of neural network (NN) models specifically designed for accurate and efficient fluid dynamics forecasting. In this work, we show how neural networks training can be improved by reducing data complexity through a modal decomposition technique called higher order dynamic mode decomposition (HODMD), which identifies the main structures inside flow dynamics and reconstructs the original flow using only these main structures. This reconstruction has the same number of samples and spatial dimension as the original flow, but with a less complex dynamics and preserving its main features. We also show the low computational cost required by the proposed NN models, both in their training and inference phases. The core idea of this work is to test the limits of applicability of deep learning models to data forecasting in complex fluid dynamics problems. Generalization capabilities of the models are demonstrated by using the same neural network architectures to forecast the future dynamics of four different multi-phase flows. Data sets used to train and test these deep learning models come from Direct Numerical Simulations (DNS) of these flows.

Dataset scaling, also known as normalization, is an essential preprocessing step in a machine learning pipeline. It is aimed at adjusting attributes scales in a way that they all vary within the same range. This transformation is known to improve the performance of classification models, but there are several scaling techniques to choose from, and this choice is not generally done carefully. In this paper, we execute a broad experiment comparing the impact of 5 scaling techniques on the performances of 20 classification algorithms among monolithic and ensemble models, applying them to 82 publicly available datasets with varying imbalance ratios. Results show that the choice of scaling technique matters for classification performance, and the performance difference between the best and the worst scaling technique is relevant and statistically significant in most cases. They also indicate that choosing an inadequate technique can be more detrimental to classification performance than not scaling the data at all. We also show how the performance variation of an ensemble model, considering different scaling techniques, tends to be dictated by that of its base model. Finally, we discuss the relationship between a model's sensitivity to the choice of scaling technique and its performance and provide insights into its applicability on different model deployment scenarios. Full results and source code for the experiments in this paper are available in a GitHub repository.\footnote{https://github.com/amorimlb/scaling\_matters}

Network models are an essential block of modern networks. For example, they are widely used in network planning and optimization. However, as networks increase in scale and complexity, some models present limitations, such as the assumption of markovian traffic in queuing theory models, or the high computational cost of network simulators. Recent advances in machine learning, such as Graph Neural Networks (GNN), are enabling a new generation of network models that are data-driven and can learn complex non-linear behaviors. In this paper, we present RouteNet-Fermi, a custom GNN model that shares the same goals as queuing theory, while being considerably more accurate in the presence of realistic traffic models. The proposed model predicts accurately the delay, jitter, and loss in networks. We have tested RouteNet-Fermi in networks of increasing size (up to 300 nodes), including samples with mixed traffic profiles -- e.g., with complex non-markovian models -- and arbitrary routing and queue scheduling configurations. Our experimental results show that RouteNet-Fermi achieves similar accuracy as computationally-expensive packet-level simulators and it is able to accurately scale to large networks. For example, the model produces delay estimates with a mean relative error of 6.24% when applied to a test dataset with 1,000 samples, including network topologies one order of magnitude larger than those seen during training.

Data scarcity is one of the main issues with the end-to-end approach for Speech Translation, as compared to the cascaded one. Although most data resources for Speech Translation are originally document-level, they offer a sentence-level view, which can be directly used during training. But this sentence-level view is single and static, potentially limiting the utility of the data. Our proposed data augmentation method SegAugment challenges this idea and aims to increase data availability by providing multiple alternative sentence-level views of a dataset. Our method heavily relies on an Audio Segmentation system to re-segment the speech of each document, after which we obtain the target text with alignment methods. The Audio Segmentation system can be parameterized with different length constraints, thus giving us access to multiple and diverse sentence-level views for each document. Experiments in MuST-C show consistent gains across 8 language pairs, with an average increase of 2.2 BLEU points, and up to 4.7 BLEU for lower-resource scenarios in mTEDx. Additionally, we find that SegAugment is also applicable to purely sentence-level data, as in CoVoST, and that it enables Speech Translation models to completely close the gap between the gold and automatic segmentation at inference time.