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Although AI systems have been applied in various fields and achieved impressive performance, their safety and reliability are still a big concern. This is especially important for safety-critical tasks. One shared characteristic of these critical tasks is their risk sensitivity, where small mistakes can cause big consequences and even endanger life. There are several factors that could be guidelines for the successful deployment of AI systems in sensitive tasks: (i) failure detection and out-of-distribution (OOD) detection; (ii) overfitting identification; (iii) uncertainty quantification for predictions; (iv) robustness to data perturbations. These factors are also challenges of current AI systems, which are major blocks for building safe and reliable AI. Specifically, the current AI algorithms are unable to identify common causes for failure detection. Furthermore, additional techniques are required to quantify the quality of predictions. All these contribute to inaccurate uncertainty quantification, which lowers trust in predictions. Hence obtaining accurate model uncertainty quantification and its further improvement are challenging. To address these issues, many techniques have been proposed, such as regularization methods and learning strategies. As vision and language are the most typical data type and have many open source benchmark datasets, this thesis will focus on vision-language data processing for tasks like classification, image captioning, and vision question answering. In this thesis, we aim to build a safeguard by further developing current techniques to ensure the accurate model uncertainty for safety-critical tasks.

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Graph Neural Networks (GNNs) have achieved promising performance in a variety of graph-focused tasks. Despite their success, existing GNNs suffer from two significant limitations: a lack of interpretability in results due to their black-box nature, and an inability to learn representations of varying orders. To tackle these issues, we propose a novel Model-agnostic Graph Neural Network (MaGNet) framework, which is able to sequentially integrate information of various orders, extract knowledge from high-order neighbors, and provide meaningful and interpretable results by identifying influential compact graph structures. In particular, MaGNet consists of two components: an estimation model for the latent representation of complex relationships under graph topology, and an interpretation model that identifies influential nodes, edges, and important node features. Theoretically, we establish the generalization error bound for MaGNet via empirical Rademacher complexity, and showcase its power to represent layer-wise neighborhood mixing. We conduct comprehensive numerical studies using simulated data to demonstrate the superior performance of MaGNet in comparison to several state-of-the-art alternatives. Furthermore, we apply MaGNet to a real-world case study aimed at extracting task-critical information from brain activity data, thereby highlighting its effectiveness in advancing scientific research.

Digital Twins are digital replica of real entities and are becoming fundamental tools to monitor and control the status of entities, predict their future evolutions, and simulate alternative scenarios to understand the impact of changes. Thanks to the large deployment of sensors, with the increasing information it is possible to build accurate reproductions of urban environments including structural data and real-time information. Such solutions help city councils and decision makers to face challenges in urban development and improve the citizen quality of life, by ana-lysing the actual conditions, evaluating in advance through simulations and what-if analysis the outcomes of infrastructural or political chang-es, or predicting the effects of humans and/or of natural events. Snap4City Smart City Digital Twin framework is capable to respond to the requirements identified in the literature and by the international forums. Differently from other solutions, the proposed architecture provides an integrated solution for data gathering, indexing, computing and information distribution offered by the Snap4City IoT platform, therefore realizing a continuously updated Digital Twin. 3D building models, road networks, IoT devices, WoT Entities, point of interests, routes, paths, etc., as well as results from data analytical processes for traffic density reconstruction, pollutant dispersion, predictions of any kind, what-if analysis, etc., are all integrated into an accessible web interface, to support the citizens participation in the city decision processes. What-If analysis to let the user performs simulations and observe possible outcomes. As case of study, the Digital Twin of the city of Florence (Italy) is presented. Snap4City platform, is released as open-source, and made available through GitHub and as docker compose.

This paper addresses the problem of safety-critical control of autonomous robots, considering the ubiquitous uncertainties arising from unmodeled dynamics and noisy sensors. To take into account these uncertainties, probabilistic state estimators are often deployed to obtain a belief over possible states. Namely, Particle Filters (PFs) can handle arbitrary non-Gaussian distributions in the robot's state. In this work, we define the belief state and belief dynamics for continuous-discrete PFs and construct safe sets in the underlying belief space. We design a controller that provably keeps the robot's belief state within this safe set. As a result, we ensure that the risk of the unknown robot's state violating a safety specification, such as avoiding a dangerous area, is bounded. We provide an open-source implementation as a ROS2 package and evaluate the solution in simulations and hardware experiments involving high-dimensional belief spaces.

Despite the recent success in data-driven fault diagnosis of rotating machines, there are still remaining challenges in this field. Among the issues to be addressed, is the lack of information about variety of faults the system may encounter in the field. In this paper, we assume a partial knowledge of the system faults and use the corresponding data to train a convolutional neural network. A combination of t-SNE method and clustering techniques is then employed to detect novel faults. Upon detection, the network is augmented using the new data. Finally, a test setup is used to validate this two-stage methodology on a centrifugal pump and experimental results show high accuracy in detecting novel faults.

In human-robot collaboration, there has been a trade-off relationship between the speed of collaborative robots and the safety of human workers. In our previous paper, we introduced a time-optimal path tracking algorithm designed to maximize speed while ensuring safety for human workers. This algorithm runs in real-time and provides the safe and fastest control input for every cycle with respect to ISO standards. However, true optimality has not been achieved due to inaccurate distance computation resulting from conservative model simplification. To attain true optimality, we require a method that can compute distances 1. at many robot configurations to examine along a trajectory 2. in real-time for online robot control 3. as precisely as possible for optimal control. In this paper, we propose a batched, fast and precise distance checking method based on precomputed link-local SDFs. Our method can check distances for 500 waypoints along a trajectory within less than 1 millisecond using a GPU at runtime, making it suited for time-critical robotic control. Additionally, a neural approximation has been proposed to accelerate preprocessing by a factor of 2. Finally, we experimentally demonstrate that our method can navigate a 6-DoF robot earlier than a geometric-primitives-based distance checker in a dynamic and collaborative environment.

Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the distributions of given graphs and generating more novel graphs. Owing to their wide range of applications, generative models for graphs, which have a rich history, however, are traditionally hand-crafted and only capable of modeling a few statistical properties of graphs. Recent advances in deep generative models for graph generation is an important step towards improving the fidelity of generated graphs and paves the way for new kinds of applications. This article provides an extensive overview of the literature in the field of deep generative models for graph generation. Firstly, the formal definition of deep generative models for the graph generation and the preliminary knowledge are provided. Secondly, taxonomies of deep generative models for both unconditional and conditional graph generation are proposed respectively; the existing works of each are compared and analyzed. After that, an overview of the evaluation metrics in this specific domain is provided. Finally, the applications that deep graph generation enables are summarized and five promising future research directions are highlighted.

Deployment of Internet of Things (IoT) devices and Data Fusion techniques have gained popularity in public and government domains. This usually requires capturing and consolidating data from multiple sources. As datasets do not necessarily originate from identical sensors, fused data typically results in a complex data problem. Because military is investigating how heterogeneous IoT devices can aid processes and tasks, we investigate a multi-sensor approach. Moreover, we propose a signal to image encoding approach to transform information (signal) to integrate (fuse) data from IoT wearable devices to an image which is invertible and easier to visualize supporting decision making. Furthermore, we investigate the challenge of enabling an intelligent identification and detection operation and demonstrate the feasibility of the proposed Deep Learning and Anomaly Detection models that can support future application that utilizes hand gesture data from wearable devices.

Graph Convolutional Network (GCN) has been widely applied in transportation demand prediction due to its excellent ability to capture non-Euclidean spatial dependence among station-level or regional transportation demands. However, in most of the existing research, the graph convolution was implemented on a heuristically generated adjacency matrix, which could neither reflect the real spatial relationships of stations accurately, nor capture the multi-level spatial dependence of demands adaptively. To cope with the above problems, this paper provides a novel graph convolutional network for transportation demand prediction. Firstly, a novel graph convolution architecture is proposed, which has different adjacency matrices in different layers and all the adjacency matrices are self-learned during the training process. Secondly, a layer-wise coupling mechanism is provided, which associates the upper-level adjacency matrix with the lower-level one. It also reduces the scale of parameters in our model. Lastly, a unitary network is constructed to give the final prediction result by integrating the hidden spatial states with gated recurrent unit, which could capture the multi-level spatial dependence and temporal dynamics simultaneously. Experiments have been conducted on two real-world datasets, NYC Citi Bike and NYC Taxi, and the results demonstrate the superiority of our model over the state-of-the-art ones.

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.

Ensembles over neural network weights trained from different random initialization, known as deep ensembles, achieve state-of-the-art accuracy and calibration. The recently introduced batch ensembles provide a drop-in replacement that is more parameter efficient. In this paper, we design ensembles not only over weights, but over hyperparameters to improve the state of the art in both settings. For best performance independent of budget, we propose hyper-deep ensembles, a simple procedure that involves a random search over different hyperparameters, themselves stratified across multiple random initializations. Its strong performance highlights the benefit of combining models with both weight and hyperparameter diversity. We further propose a parameter efficient version, hyper-batch ensembles, which builds on the layer structure of batch ensembles and self-tuning networks. The computational and memory costs of our method are notably lower than typical ensembles. On image classification tasks, with MLP, LeNet, and Wide ResNet 28-10 architectures, our methodology improves upon both deep and batch ensembles.

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