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With the rapid development of GPU (Graphics Processing Unit) technologies and neural networks, we can explore more appropriate data structures and algorithms. Recent progress shows that neural networks can partly replace traditional data structures. In this paper, we proposed a novel DNN (Deep Neural Network)-based learned locality-sensitive hashing, called LLSH, to efficiently and flexibly map high-dimensional data to low-dimensional space. LLSH replaces the traditional LSH (Locality-sensitive Hashing) function families with parallel multi-layer neural networks, which reduces the time and memory consumption and guarantees query accuracy simultaneously. The proposed LLSH demonstrate the feasibility of replacing the hash index with learning-based neural networks and open a new door for developers to design and configure data organization more accurately to improve information-searching performance. Extensive experiments on different types of datasets show the superiority of the proposed method in query accuracy, time consumption, and memory usage.

Training on large-scale graphs has achieved remarkable results in graph representation learning, but its cost and storage have attracted increasing concerns. Existing graph condensation methods primarily focus on optimizing the feature matrices of condensed graphs while overlooking the impact of the structure information from the original graphs. To investigate the impact of the structure information, we conduct analysis from the spectral domain and empirically identify substantial Laplacian Energy Distribution (LED) shifts in previous works. Such shifts lead to poor performance in cross-architecture generalization and specific tasks, including anomaly detection and link prediction. In this paper, we propose a novel Structure-broadcasting Graph Dataset Distillation (SGDD) scheme for broadcasting the original structure information to the generation of the synthetic one, which explicitly prevents overlooking the original structure information. Theoretically, the synthetic graphs by SGDD are expected to have smaller LED shifts than previous works, leading to superior performance in both cross-architecture settings and specific tasks. We validate the proposed SGDD across 9 datasets and achieve state-of-the-art results on all of them: for example, on the YelpChi dataset, our approach maintains 98.6% test accuracy of training on the original graph dataset with 1,000 times saving on the scale of the graph. Moreover, we empirically evaluate there exist 17.6% ~ 31.4% reductions in LED shift crossing 9 datasets. Extensive experiments and analysis verify the effectiveness and necessity of the proposed designs. The code is available in the GitHub repository: //github.com/RingBDStack/SGDD.

Explainability methods are used to benchmark the extent to which model predictions align with human rationales i.e., are 'right for the right reasons'. Previous work has failed to acknowledge, however, that what counts as a rationale is sometimes subjective. This paper presents what we think is a first of its kind, a collection of human rationale annotations augmented with the annotators demographic information. We cover three datasets spanning sentiment analysis and common-sense reasoning, and six demographic groups (balanced across age and ethnicity). Such data enables us to ask both what demographics our predictions align with and whose reasoning patterns our models' rationales align with. We find systematic inter-group annotator disagreement and show how 16 Transformer-based models align better with rationales provided by certain demographic groups: We find that models are biased towards aligning best with older and/or white annotators. We zoom in on the effects of model size and model distillation, finding -- contrary to our expectations -- negative correlations between model size and rationale agreement as well as no evidence that either model size or model distillation improves fairness.

Transformers pretrained on diverse tasks exhibit remarkable in-context learning (ICL) capabilities, enabling them to solve unseen tasks solely based on input contexts without adjusting model parameters. In this paper, we study ICL in one of its simplest setups: pretraining a linearly parameterized single-layer linear attention model for linear regression with a Gaussian prior. We establish a statistical task complexity bound for the attention model pretraining, showing that effective pretraining only requires a small number of independent tasks. Furthermore, we prove that the pretrained model closely matches the Bayes optimal algorithm, i.e., optimally tuned ridge regression, by achieving nearly Bayes optimal risk on unseen tasks under a fixed context length. These theoretical findings complement prior experimental research and shed light on the statistical foundations of ICL.

Generative adversarial networks (GANs) have been extremely successful in generating samples, from seemingly high dimensional probability measures. However, these methods struggle to capture the temporal dependence of joint probability distributions induced by time-series data. Furthermore, long time-series data streams hugely increase the dimension of the target space, which may render generative modelling infeasible. To overcome these challenges, motivated by the autoregressive models in econometric, we are interested in the conditional distribution of future time series given the past information. We propose the generic conditional Sig-WGAN framework by integrating Wasserstein-GANs (WGANs) with mathematically principled and efficient path feature extraction called the signature of a path. The signature of a path is a graded sequence of statistics that provides a universal description for a stream of data, and its expected value characterises the law of the time-series model. In particular, we develop the conditional Sig-$W_1$ metric, that captures the conditional joint law of time series models, and use it as a discriminator. The signature feature space enables the explicit representation of the proposed discriminators which alleviates the need for expensive training. We validate our method on both synthetic and empirical dataset and observe that our method consistently and significantly outperforms state-of-the-art benchmarks with respect to measures of similarity and predictive ability.

Graph neural networks (GNNs) are a type of deep learning models that learning over graphs, and have been successfully applied in many domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to large graphs. As a remedy, distributed computing becomes a promising solution of training large-scale GNNs, since it is able to provide abundant computing resources. However, the dependency of graph structure increases the difficulty of achieving high-efficiency distributed GNN training, which suffers from the massive communication and workload imbalance. In recent years, many efforts have been made on distributed GNN training, and an array of training algorithms and systems have been proposed. Yet, there is a lack of systematic review on the optimization techniques from graph processing to distributed execution. In this survey, we analyze three major challenges in distributed GNN training that are massive feature communication, the loss of model accuracy and workload imbalance. Then we introduce a new taxonomy for the optimization techniques in distributed GNN training that address the above challenges. The new taxonomy classifies existing techniques into four categories that are GNN data partition, GNN batch generation, GNN execution model, and GNN communication protocol.We carefully discuss the techniques in each category. In the end, we summarize existing distributed GNN systems for multi-GPUs, GPU-clusters and CPU-clusters, respectively, and give a discussion about the future direction on scalable GNNs.

A mainstream type of current self-supervised learning methods pursues a general-purpose representation that can be well transferred to downstream tasks, typically by optimizing on a given pretext task such as instance discrimination. In this work, we argue that existing pretext tasks inevitably introduce biases into the learned representation, which in turn leads to biased transfer performance on various downstream tasks. To cope with this issue, we propose Maximum Entropy Coding (MEC), a more principled objective that explicitly optimizes on the structure of the representation, so that the learned representation is less biased and thus generalizes better to unseen downstream tasks. Inspired by the principle of maximum entropy in information theory, we hypothesize that a generalizable representation should be the one that admits the maximum entropy among all plausible representations. To make the objective end-to-end trainable, we propose to leverage the minimal coding length in lossy data coding as a computationally tractable surrogate for the entropy, and further derive a scalable reformulation of the objective that allows fast computation. Extensive experiments demonstrate that MEC learns a more generalizable representation than previous methods based on specific pretext tasks. It achieves state-of-the-art performance consistently on various downstream tasks, including not only ImageNet linear probe, but also semi-supervised classification, object detection, instance segmentation, and object tracking. Interestingly, we show that existing batch-wise and feature-wise self-supervised objectives could be seen equivalent to low-order approximations of MEC. Code and pre-trained models are available at //github.com/xinliu20/MEC.

The LSTM network was proposed to overcome the difficulty in learning long-term dependence, and has made significant advancements in applications. With its success and drawbacks in mind, this paper raises the question - do RNN and LSTM have long memory? We answer it partially by proving that RNN and LSTM do not have long memory from a statistical perspective. A new definition for long memory networks is further introduced, and it requires the model weights to decay at a polynomial rate. To verify our theory, we convert RNN and LSTM into long memory networks by making a minimal modification, and their superiority is illustrated in modeling long-term dependence of various datasets.

Graph Neural Networks (GNNs) for representation learning of graphs broadly follow a neighborhood aggregation framework, where the representation vector of a node is computed by recursively aggregating and transforming feature vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs in capturing different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.