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We develop a novel generative model to simulate vehicle health and forecast faults, conditioned on practical operational considerations. The model, trained on data from the US Army's Predictive Logistics program, aims to support predictive maintenance. It forecasts faults far enough in advance to execute a maintenance intervention before a breakdown occurs. The model incorporates real-world factors that affect vehicle health. It also allows us to understand the vehicle's condition by analyzing operating data, and characterizing each vehicle into discrete states. Importantly, the model predicts the time to first fault with high accuracy. We compare its performance to other models and demonstrate its successful training.

Annotations play a vital role in highlighting critical aspects of visualizations, aiding in data externalization and exploration, collaborative sensemaking, and visual storytelling. However, despite their widespread use, we identified a lack of a design space for common practices for annotations. In this paper, we evaluated over 1,800 static annotated charts to understand how people annotate visualizations in practice. Through qualitative coding of these diverse real-world annotated charts, we explored three primary aspects of annotation usage patterns: analytic purposes for chart annotations (e.g., present, identify, summarize, or compare data features), mechanisms for chart annotations (e.g., types and combinations of annotations used, frequency of different annotation types across chart types, etc.), and the data source used to generate the annotations. We then synthesized our findings into a design space of annotations, highlighting key design choices for chart annotations. We presented three case studies illustrating our design space as a practical framework for chart annotations to enhance the communication of visualization insights. All supplemental materials are available at {//shorturl.at/bAGM1}.

We develop a novel generative model to simulate vehicle health and forecast faults, conditioned on practical operational considerations. The model, trained on data from the US Army's Predictive Logistics program, aims to support predictive maintenance. It forecasts faults far enough in advance to execute a maintenance intervention before a breakdown occurs. The model incorporates real-world factors that affect vehicle health. It also allows us to understand the vehicle's condition by analyzing operating data, and characterizing each vehicle into discrete states. Importantly, the model predicts the time to first fault with high accuracy. We compare its performance to other models and demonstrate its successful training.

Analysis of 3D segmentation models, especially in the context of medical imaging, is often limited to segmentation performance metrics that overlook the crucial aspect of explainability and bias. Currently, effectively explaining these models with saliency maps is challenging due to the high dimensions of input images multiplied by the ever-growing number of segmented class labels. To this end, we introduce Agg^2Exp, a methodology for aggregating fine-grained voxel attributions of the segmentation model's predictions. Unlike classical explanation methods that primarily focus on the local feature attribution, Agg^2Exp enables a more comprehensive global view on the importance of predicted segments in 3D images. Our benchmarking experiments show that gradient-based voxel attributions are more faithful to the model's predictions than perturbation-based explanations. As a concrete use-case, we apply Agg^2Exp to discover knowledge acquired by the Swin UNEt TRansformer model trained on the TotalSegmentator v2 dataset for segmenting anatomical structures in computed tomography medical images. Agg^2Exp facilitates the explanatory analysis of large segmentation models beyond their predictive performance.

While the automated detection of cryptographic API misuses has progressed significantly, its precision diminishes for intricate targets due to the reliance on manually defined patterns. Large Language Models (LLMs), renowned for their contextual understanding, offer a promising avenue to address existing shortcomings. However, applying LLMs in this security-critical domain presents challenges, particularly due to the unreliability stemming from LLMs' stochastic nature and the well-known issue of hallucination. To explore the prevalence of LLMs' unreliable analysis and potential solutions, this paper introduces a systematic evaluation framework to assess LLMs in detecting cryptographic misuses, utilizing a comprehensive dataset encompassing both manually-crafted samples and real-world projects. Our in-depth analysis of 11,940 LLM-generated reports highlights that the inherent instabilities in LLMs can lead to over half of the reports being false positives. Nevertheless, we demonstrate how a constrained problem scope, coupled with LLMs' self-correction capability, significantly enhances the reliability of the detection. The optimized approach achieves a remarkable detection rate of nearly 90%, surpassing traditional methods and uncovering previously unknown misuses in established benchmarks. Moreover, we identify the failure patterns that persistently hinder LLMs' reliability, including both cryptographic knowledge deficiency and code semantics misinterpretation. Guided by these insights, we develop an LLM-based workflow to examine open-source repositories, leading to the discovery of 63 real-world cryptographic misuses. Of these, 46 have been acknowledged by the development community, with 23 currently being addressed and 6 resolved. Reflecting on developers' feedback, we offer recommendations for future research and the development of LLM-based security tools.

We contribute to a better understanding of the class of functions that can be represented by a neural network with ReLU activations and a given architecture. Using techniques from mixed-integer optimization, polyhedral theory, and tropical geometry, we provide a mathematical counterbalance to the universal approximation theorems which suggest that a single hidden layer is sufficient for learning any function. In particular, we investigate whether the class of exactly representable functions strictly increases by adding more layers (with no restrictions on size). As a by-product of our investigations, we settle an old conjecture about piecewise linear functions by Wang and Sun (2005) in the affirmative. We also present upper bounds on the sizes of neural networks required to represent functions with logarithmic depth.

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. However, the workflows, computational patterns, communication patterns, and optimization techniques of distributed GNN training remain preliminarily understood. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.