通过Navier-Stokes方程的数值解决方案的计算流体动力学（CFD）仿真是从工程设计到气候建模的广泛应用中的重要工具。然而，CFD代码所需的计算成本和内存需求对于实际兴趣的流动可能变得非常高，例如在空气动力学形状优化中。该费用与流体流动控制方程的复杂性有关，其包括具有困难的解决方案的非线性部分衍生术语，导致长的计算时间和限制在迭代设计过程中可以测试的假设的数量。因此，我们提出了DeepCFD：基于卷积神经网络（CNN）的模型，其有效地近似于均匀稳态流动问题的解决方案。所提出的模型能够直接从使用最先进的CFD代码生成的地面真实数据的速度和压力场的完整解决方案的完整解决方案。使用DeepCFD，与标准CFD方法以低误差率的成本相比，我们发现高达3个数量级的加速。

Objective: Imbalances of the electrolyte concentration levels in the body can lead to catastrophic consequences, but accurate and accessible measurements could improve patient outcomes. While blood tests provide accurate measurements, they are invasive and the laboratory analysis can be slow or inaccessible. In contrast, an electrocardiogram (ECG) is a widely adopted tool which is quick and simple to acquire. However, the problem of estimating continuous electrolyte concentrations directly from ECGs is not well-studied. We therefore investigate if regression methods can be used for accurate ECG-based prediction of electrolyte concentrations. Methods: We explore the use of deep neural networks (DNNs) for this task. We analyze the regression performance across four electrolytes, utilizing a novel dataset containing over 290000 ECGs. For improved understanding, we also study the full spectrum from continuous predictions to binary classification of extreme concentration levels. To enhance clinical usefulness, we finally extend to a probabilistic regression approach and evaluate different uncertainty estimates. Results: We find that the performance varies significantly between different electrolytes, which is clinically justified in the interplay of electrolytes and their manifestation in the ECG. We also compare the regression accuracy with that of traditional machine learning models, demonstrating superior performance of DNNs. Conclusion: Discretization can lead to good classification performance, but does not help solve the original problem of predicting continuous concentration levels. While probabilistic regression demonstrates potential practical usefulness, the uncertainty estimates are not particularly well-calibrated. Significance: Our study is a first step towards accurate and reliable ECG-based prediction of electrolyte concentration levels.

Machine Learning algorithms have been extensively researched throughout the last decade, leading to unprecedented advances in a broad range of applications, such as image classification and reconstruction, object recognition, and text categorization. Nonetheless, most Machine Learning algorithms are trained via derivative-based optimizers, such as the Stochastic Gradient Descent, leading to possible local optimum entrapments and inhibiting them from achieving proper performances. A bio-inspired alternative to traditional optimization techniques, denoted as meta-heuristic, has received significant attention due to its simplicity and ability to avoid local optimums imprisonment. In this work, we propose to use meta-heuristic techniques to fine-tune pre-trained weights, exploring additional regions of the search space, and improving their effectiveness. The experimental evaluation comprises two classification tasks (image and text) and is assessed under four literature datasets. Experimental results show nature-inspired algorithms' capacity in exploring the neighborhood of pre-trained weights, achieving superior results than their counterpart pre-trained architectures. Additionally, a thorough analysis of distinct architectures, such as Multi-Layer Perceptron and Recurrent Neural Networks, attempts to visualize and provide more precise insights into the most critical weights to be fine-tuned in the learning process.

In this paper we propose a pooling approach for convolutional information processing on graphs relying on the theory of graphons and limits of dense graph sequences. We present three methods that exploit the induced graphon representation of graphs and graph signals on partitions of [0, 1]2 in the graphon space. As a result we derive low dimensional representations of the convolutional operators, while a dimensionality reduction of the signals is achieved by simple local interpolation of functions in L2([0, 1]). We prove that those low dimensional representations constitute a convergent sequence of graphs and graph signals, respectively. The methods proposed and the theoretical guarantees that we provide show that the reduced graphs and signals inherit spectral-structural properties of the original quantities. We evaluate our approach with a set of numerical experiments performed on graph neural networks (GNNs) that rely on graphon pooling. We observe that graphon pooling performs significantly better than other approaches proposed in the literature when dimensionality reduction ratios between layers are large. We also observe that when graphon pooling is used we have, in general, less overfitting and lower computational cost.

The proliferation of radical online communities and their violent offshoots has sparked great societal concern. However, the current practice of banning such communities from mainstream platforms has unintended consequences: (I) the further radicalization of their members in fringe platforms where they migrate; and (ii) the spillover of harmful content from fringe back onto mainstream platforms. Here, in a large observational study on two banned subreddits, r/The\_Donald and r/fatpeoplehate, we examine how factors associated with the RECRO radicalization framework relate to users' migration decisions. Specifically, we quantify how these factors affect users' decisions to post on fringe platforms and, for those who do, whether they continue posting on the mainstream platform. Our results show that individual-level factors, those relating to the behavior of users, are associated with the decision to post on the fringe platform. Whereas social-level factors, users' connection with the radical community, only affect the propensity to be coactive on both platforms. Overall, our findings pave the way for evidence-based moderation policies, as the decisions to migrate and remain coactive amplify unintended consequences of community bans.

Changing how pre-trained models behave -- e.g., improving their performance on a downstream task or mitigating biases learned during pre-training -- is a common practice when developing machine learning systems. In this work, we propose a new paradigm for steering the behavior of neural networks, centered around \textit{task vectors}. A task vector specifies a direction in the weight space of a pre-trained model, such that movement in that direction improves performance on the task. We build task vectors by subtracting the weights of a pre-trained model from the weights of the same model after fine-tuning on a task. We show that these task vectors can be modified and combined together through arithmetic operations such as negation and addition, and the behavior of the resulting model is steered accordingly. Negating a task vector decreases performance on the target task, with little change in model behavior on control tasks. Moreover, adding task vectors together can improve performance on multiple tasks at once. Finally, when tasks are linked by an analogy relationship of the form ``A is to B as C is to D", combining task vectors from three of the tasks can improve performance on the fourth, even when no data from the fourth task is used for training. Overall, our experiments with several models, modalities and tasks show that task arithmetic is a simple, efficient and effective way of editing models.

Vision models often fail systematically on groups of data that share common semantic characteristics (e.g., rare objects or unusual scenes), but identifying these failure modes is a challenge. We introduce AdaVision, an interactive process for testing vision models which helps users identify and fix coherent failure modes. Given a natural language description of a coherent group, AdaVision retrieves relevant images from LAION-5B with CLIP. The user then labels a small amount of data for model correctness, which is used in successive retrieval rounds to hill-climb towards high-error regions, refining the group definition. Once a group is saturated, AdaVision uses GPT-3 to suggest new group descriptions for the user to explore. We demonstrate the usefulness and generality of AdaVision in user studies, where users find major bugs in state-of-the-art classification, object detection, and image captioning models. These user-discovered groups have failure rates 2-3x higher than those surfaced by automatic error clustering methods. Finally, finetuning on examples found with AdaVision fixes the discovered bugs when evaluated on unseen examples, without degrading in-distribution accuracy, and while also improving performance on out-of-distribution datasets.

Automated machine learning (AutoML) algorithms have grown in popularity due to their high performance and flexibility to adapt to different problems and data sets. With the increasing number of AutoML algorithms, deciding which would best suit a given problem becomes increasingly more work. Therefore, it is essential to use complex and challenging benchmarks which would be able to differentiate the AutoML algorithms from each other. This paper compares the performance of four different AutoML algorithms: Tree-based Pipeline Optimization Tool (TPOT), Auto-Sklearn, Auto-Sklearn 2, and H2O AutoML. We use the Diverse and Generative ML benchmark (DIGEN), a diverse set of synthetic datasets derived from generative functions designed to highlight the strengths and weaknesses of the performance of common machine learning algorithms. We confirm that AutoML can identify pipelines that perform well on all included datasets. Most AutoML algorithms performed similarly without much room for improvement; however, some were more consistent than others at finding high-performing solutions for some datasets.

Text classification is a natural language processing (NLP) task relevant to many commercial applications, like e-commerce and customer service. Naturally, classifying such excerpts accurately often represents a challenge, due to intrinsic language aspects, like irony and nuance. To accomplish this task, one must provide a robust numerical representation for documents, a process known as embedding. Embedding represents a key NLP field nowadays, having faced a significant advance in the last decade, especially after the introduction of the word-to-vector concept and the popularization of Deep Learning models for solving NLP tasks, including Convolutional Neural Networks (CNNs), Recurrent Neural Networks (RNNs), and Transformer-based Language Models (TLMs). Despite the impressive achievements in this field, the literature coverage regarding generating embeddings for Brazilian Portuguese texts is scarce, especially when considering commercial user reviews. Therefore, this work aims to provide a comprehensive experimental study of embedding approaches targeting a binary sentiment classification of user reviews in Brazilian Portuguese. This study includes from classical (Bag-of-Words) to state-of-the-art (Transformer-based) NLP models. The methods are evaluated with five open-source databases with pre-defined data partitions made available in an open digital repository to encourage reproducibility. The Fine-tuned TLMs achieved the best results for all cases, being followed by the Feature-based TLM, LSTM, and CNN, with alternate ranks, depending on the database under analysis.

In the last decade, exponential data growth supplied machine learning-based algorithms' capacity and enabled their usage in daily-life activities. Additionally, such an improvement is partially explained due to the advent of deep learning techniques, i.e., stacks of simple architectures that end up in more complex models. Although both factors produce outstanding results, they also pose drawbacks regarding the learning process as training complex models over large datasets are expensive and time-consuming. Such a problem is even more evident when dealing with video analysis. Some works have considered transfer learning or domain adaptation, i.e., approaches that map the knowledge from one domain to another, to ease the training burden, yet most of them operate over individual or small blocks of frames. This paper proposes a novel approach to map the knowledge from action recognition to event recognition using an energy-based model, denoted as Spectral Deep Belief Network. Such a model can process all frames simultaneously, carrying spatial and temporal information through the learning process. The experimental results conducted over two public video dataset, the HMDB-51 and the UCF-101, depict the effectiveness of the proposed model and its reduced computational burden when compared to traditional energy-based models, such as Restricted Boltzmann Machines and Deep Belief Networks.