学习表达性分子表示对于促进分子特性的准确预测至关重要。尽管图形神经网络（GNNS）在分子表示学习中取得了显着进步，但它们通常面临诸如邻居探索，不足，过度光滑和过度阵列之类的局限性。同样，由于参数数量大，GNN通常具有较高的计算复杂性。通常，当面对相对大尺寸的图形或使用更深的GNN模型体系结构时，这种限制会出现或增加。克服这些问题的一个想法是将分子图简化为小型，丰富且有益的信息，这更有效，更具挑战性的培训GNN。为此，我们提出了一个新颖的分子图粗化框架，名为FUNQG利用函数组，作为分子的有影响力的构件来确定其性质，基于称为商图的图理论概念。通过实验，我们表明所产生的信息图比分子图小得多，因此是训练GNN的良好候选者。我们将FUNQG应用于流行的分子属性预测基准，然后比较所获得的数据集上的GNN体系结构的性能与原始数据集上的几个最先进的基线。通过实验，除了其参数数量和低计算复杂性的急剧减少之外，该方法除了其急剧减少之外，在各种数据集上的表现显着优于先前的基准。因此，FUNQG可以用作解决分子表示学习问题的简单，成本效益且可靠的方法。

Existing automated techniques for software documentation typically attempt to reason between two main sources of information: code and natural language. However, this reasoning process is often complicated by the lexical gap between more abstract natural language and more structured programming languages. One potential bridge for this gap is the Graphical User Interface (GUI), as GUIs inherently encode salient information about underlying program functionality into rich, pixel-based data representations. This paper offers one of the first comprehensive empirical investigations into the connection between GUIs and functional, natural language descriptions of software. First, we collect, analyze, and open source a large dataset of functional GUI descriptions consisting of 45,998 descriptions for 10,204 screenshots from popular Android applications. The descriptions were obtained from human labelers and underwent several quality control mechanisms. To gain insight into the representational potential of GUIs, we investigate the ability of four Neural Image Captioning models to predict natural language descriptions of varying granularity when provided a screenshot as input. We evaluate these models quantitatively, using common machine translation metrics, and qualitatively through a large-scale user study. Finally, we offer learned lessons and a discussion of the potential shown by multimodal models to enhance future techniques for automated software documentation.

In this paper, we reduce the complexity of approximating the correlation clustering problem from $O(m\times\left( 2+ \alpha (G) \right)+n)$ to $O(m+n)$ for any given value of $\varepsilon$ for a complete signed graph with $n$ vertices and $m$ positive edges where $\alpha(G)$ is the arboricity of the graph. Our approach gives the same output as the original algorithm and makes it possible to implement the algorithm in a full dynamic setting where edge sign flipping and vertex addition/removal are allowed. Constructing this index costs $O(m)$ memory and $O(m\times\alpha(G))$ time. We also studied the structural properties of the non-agreement measure used in the approximation algorithm. The theoretical results are accompanied by a full set of experiments concerning seven real-world graphs. These results shows superiority of our index-based algorithm to the non-index one by a decrease of %34 in time on average.

This paper proposes a novel self-supervised based Cut-and-Paste GAN to perform foreground object segmentation and generate realistic composite images without manual annotations. We accomplish this goal by a simple yet effective self-supervised approach coupled with the U-Net based discriminator. The proposed method extends the ability of the standard discriminators to learn not only the global data representations via classification (real/fake) but also learn semantic and structural information through pseudo labels created using the self-supervised task. The proposed method empowers the generator to create meaningful masks by forcing it to learn informative per-pixel as well as global image feedback from the discriminator. Our experiments demonstrate that our proposed method significantly outperforms the state-of-the-art methods on the standard benchmark datasets.

Machine learning models are typically evaluated by computing similarity with reference annotations and trained by maximizing similarity with such. Especially in the bio-medical domain, annotations are subjective and suffer from low inter- and intra-rater reliability. Since annotations only reflect the annotation entity's interpretation of the real world, this can lead to sub-optimal predictions even though the model achieves high similarity scores. Here, the theoretical concept of Peak Ground Truth (PGT) is introduced. PGT marks the point beyond which an increase in similarity with the reference annotation stops translating to better Real World Model Performance (RWMP). Additionally, a quantitative technique to approximate PGT by computing inter- and intra-rater reliability is proposed. Finally, three categories of PGT-aware strategies to evaluate and improve model performance are reviewed.

Finding and localizing the conceptual changes in two scenes in terms of the presence or removal of objects in two images belonging to the same scene at different times in special care applications is of great significance. This is mainly due to the fact that addition or removal of important objects for some environments can be harmful. As a result, there is a need to design a program that locates these differences using machine vision. The most important challenge of this problem is the change in lighting conditions and the presence of shadows in the scene. Therefore, the proposed methods must be resistant to these challenges. In this article, a method based on deep convolutional neural networks using transfer learning is introduced, which is trained with an intelligent data synthesis process. The results of this method are tested and presented on the dataset provided for this purpose. It is shown that the presented method is more efficient than other methods and can be used in a variety of real industrial environments.

Simulation-based falsification is a practical testing method to increase confidence that the system will meet safety requirements. Because full-fidelity simulations can be computationally demanding, we investigate the use of simulators with different levels of fidelity. As a first step, we express the overall safety specification in terms of environmental parameters and structure this safety specification as an optimization problem. We propose a multi-fidelity falsification framework using Bayesian optimization, which is able to determine at which level of fidelity we should conduct a safety evaluation in addition to finding possible instances from the environment that cause the system to fail. This method allows us to automatically switch between inexpensive, inaccurate information from a low-fidelity simulator and expensive, accurate information from a high-fidelity simulator in a cost-effective way. Our experiments on various environments in simulation demonstrate that multi-fidelity Bayesian optimization has falsification performance comparable to single-fidelity Bayesian optimization but with much lower cost.

Ensemble learning combines results from multiple machine learning models in order to provide a better and optimised predictive model with reduced bias, variance and improved predictions. However, in federated learning it is not feasible to apply centralised ensemble learning directly due to privacy concerns. Hence, a mechanism is required to combine results of local models to produce a global model. Most distributed consensus algorithms, such as Byzantine fault tolerance (BFT), do not normally perform well in such applications. This is because, in such methods predictions of some of the peers are disregarded, so a majority of peers can win without even considering other peers' decisions. Additionally, the confidence score of the result of each peer is not normally taken into account, although it is an important feature to consider for ensemble learning. Moreover, the problem of a tie event is often left un-addressed by methods such as BFT. To fill these research gaps, we propose PoSw (Proof of Swarm), a novel distributed consensus algorithm for ensemble learning in a federated setting, which was inspired by particle swarm based algorithms for solving optimisation problems. The proposed algorithm is theoretically proved to always converge in a relatively small number of steps and has mechanisms to resolve tie events while trying to achieve sub-optimum solutions. We experimentally validated the performance of the proposed algorithm using ECG classification as an example application in healthcare, showing that the ensemble learning model outperformed all local models and even the FL-based global model. To the best of our knowledge, the proposed algorithm is the first attempt to make consensus over the output results of distributed models trained using federated learning.

Semantic segmentation works on the computer vision algorithm for assigning each pixel of an image into a class. The task of semantic segmentation should be performed with both accuracy and efficiency. Most of the existing deep FCNs yield to heavy computations and these networks are very power hungry, unsuitable for real-time applications on portable devices. This project analyzes current semantic segmentation models to explore the feasibility of applying these models for emergency response during catastrophic events. We compare the performance of real-time semantic segmentation models with non-real-time counterparts constrained by aerial images under oppositional settings. Furthermore, we train several models on the Flood-Net dataset, containing UAV images captured after Hurricane Harvey, and benchmark their execution on special classes such as flooded buildings vs. non-flooded buildings or flooded roads vs. non-flooded roads. In this project, we developed a real-time UNet based model and deployed that network on Jetson AGX Xavier module.

Investigation and analysis of patient outcomes, including in-hospital mortality and length of stay, are crucial for assisting clinicians in determining a patient's result at the outset of their hospitalization and for assisting hospitals in allocating their resources. This paper proposes an approach based on combining the well-known gray wolf algorithm with frequent items extracted by association rule mining algorithms. First, original features are combined with the discriminative extracted frequent items. The best subset of these features is then chosen, and the parameters of the used classification algorithms are also adjusted, using the gray wolf algorithm. This framework was evaluated using a real dataset made up of 2816 patients from the Imam Ali Kermanshah Hospital in Iran. The study's findings indicate that low Ejection Fraction, old age, high CPK values, and high Creatinine levels are the main contributors to patients' mortality. Several significant and interesting rules related to mortality in hospitals and length of stay have also been extracted and presented. Additionally, the accuracy, sensitivity, specificity, and auroc of the proposed framework for the diagnosis of mortality in the hospital using the SVM classifier were 0.9961, 0.9477, 0.9992, and 0.9734, respectively. According to the framework's findings, adding frequent items as features considerably improves classification accuracy.