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In the physical sciences, there is an increased need for robust feature representations of image data: image acquisition, in the generalized sense of two-dimensional data, is now widespread across a large number of fields, including quantum information science, which we consider here. While traditional image features are widely utilized in such cases, their use is rapidly being supplanted by Neural Network-based techniques that often sacrifice explainability in exchange for high accuracy. To ameliorate this trade-off, we propose a synthetic data-based technique that results in explainable features. We show, using Explainable Boosting Machines (EBMs), that this method offers superior explainability without sacrificing accuracy. Specifically, we show that there is a meaningful benefit to this technique in the context of quantum dot tuning, where human intervention is necessary at the current stage of development.

Sequence labeling models often benefit from incorporating external knowledge. However, this practice introduces data heterogeneity and complicates the model with additional modules, leading to increased expenses for training a high-performing model. To address this challenge, we propose a two-stage curriculum learning (TCL) framework specifically designed for sequence labeling tasks. The TCL framework enhances training by gradually introducing data instances from easy to hard, aiming to improve both performance and training speed. Furthermore, we explore different metrics for assessing the difficulty levels of sequence labeling tasks. Through extensive experimentation on six Chinese word segmentation (CWS) and Part-of-speech tagging (POS) datasets, we demonstrate the effectiveness of our model in enhancing the performance of sequence labeling models. Additionally, our analysis indicates that TCL accelerates training and alleviates the slow training problem associated with complex models.

While application profiling has been a mainstay in the HPC community for years, profiling of MPI and other communication middleware has not received the same degree of exploration. This paper adds to the discussion of MPI profiling, contributing two general-purpose profiling methods as well as practical applications of these methods to an existing implementation. The ability to detect performance defects in MPI codes using these methods increases the potential of further research and development in communication optimization.

Network pruning can reduce the computation cost of deep neural network (DNN) models. However, sparse models often produce randomly-distributed weights to maintain accuracy, leading to irregular computations. Consequently, unstructured sparse models cannot achieve meaningful speedup on commodity hardware built for dense matrix computations. Accelerators are usually modified or designed with structured sparsity-optimized architectures for exploiting sparsity. For example, the Ampere architecture introduces a sparse tensor core, which adopts the 2:4 sparsity pattern. We propose a pruning method that builds upon the insight that matrix multiplication generally breaks the large matrix into multiple smaller tiles for parallel execution. We present the tile-wise sparsity pattern, which maintains a structured sparsity pattern at the tile level for efficient execution but allows for irregular pruning at the global scale to maintain high accuracy. In addition, the tile-wise sparsity is implemented at the global memory level, and the 2:4 sparsity executes at the register level inside the sparse tensor core. We can combine these two patterns into a tile-vector-wise (TVW) sparsity pattern to explore more fine-grained sparsity and further accelerate the sparse DNN models. We evaluate the TVW on the GPU, achieving averages of $1.85\times$, $2.75\times$, and $22.18\times$ speedups over the dense model, block sparsity, and unstructured sparsity.

Structured sparsity is an efficient way to prune the complexity of modern Machine Learning (ML) applications and to simplify the handling of sparse data in hardware. In such cases, the acceleration of structured-sparse ML models is handled by sparse systolic tensor arrays. The increasing prevalence of ML in safety-critical systems requires enhancing the sparse tensor arrays with online error detection for managing random hardware failures. Algorithm-based fault tolerance has been proposed as a low-cost mechanism to check online the result of computations against random hardware failures. In this work, we address a key architectural challenge with structured-sparse tensor arrays: how to provide online error checking for a range of structured sparsity levels while maintaining high utilization of the hardware. Experimental results highlight the minimum hardware overhead incurred by the proposed checking logic and its error detection properties after injecting random hardware faults on sparse tensor arrays that execute layers of ResNet50 CNN.

2D-based Industrial Anomaly Detection has been widely discussed, however, multimodal industrial anomaly detection based on 3D point clouds and RGB images still has many untouched fields. Existing multimodal industrial anomaly detection methods directly concatenate the multimodal features, which leads to a strong disturbance between features and harms the detection performance. In this paper, we propose Multi-3D-Memory (M3DM), a novel multimodal anomaly detection method with hybrid fusion scheme: firstly, we design an unsupervised feature fusion with patch-wise contrastive learning to encourage the interaction of different modal features; secondly, we use a decision layer fusion with multiple memory banks to avoid loss of information and additional novelty classifiers to make the final decision. We further propose a point feature alignment operation to better align the point cloud and RGB features. Extensive experiments show that our multimodal industrial anomaly detection model outperforms the state-of-the-art (SOTA) methods on both detection and segmentation precision on MVTec-3D AD dataset. Code is available at //github.com/nomewang/M3DM.

Recently, a considerable literature has grown up around the theme of Graph Convolutional Network (GCN). How to effectively leverage the rich structural information in complex graphs, such as knowledge graphs with heterogeneous types of entities and relations, is a primary open challenge in the field. Most GCN methods are either restricted to graphs with a homogeneous type of edges (e.g., citation links only), or focusing on representation learning for nodes only instead of jointly propagating and updating the embeddings of both nodes and edges for target-driven objectives. This paper addresses these limitations by proposing a novel framework, namely the Knowledge Embedding based Graph Convolutional Network (KE-GCN), which combines the power of GCNs in graph-based belief propagation and the strengths of advanced knowledge embedding (a.k.a. knowledge graph embedding) methods, and goes beyond. Our theoretical analysis shows that KE-GCN offers an elegant unification of several well-known GCN methods as specific cases, with a new perspective of graph convolution. Experimental results on benchmark datasets show the advantageous performance of KE-GCN over strong baseline methods in the tasks of knowledge graph alignment and entity classification.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.

Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise sampling" techniques to reduce training time. However, these methods still suffer from degrading performance and scalability problems when applying to graphs with billions of edges. This paper presents GBP, a scalable GNN that utilizes a localized bidirectional propagation process from both the feature vectors and the training/testing nodes. Theoretical analysis shows that GBP is the first method that achieves sub-linear time complexity for both the precomputation and the training phases. An extensive empirical study demonstrates that GBP achieves state-of-the-art performance with significantly less training/testing time. Most notably, GBP can deliver superior performance on a graph with over 60 million nodes and 1.8 billion edges in less than half an hour on a single machine.

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.