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When hyperparameter optimization of a machine learning algorithm is repeated for multiple datasets it is possible to transfer knowledge to an optimization run on a new dataset. We develop a new hyperparameter-free ensemble model for Bayesian optimization that is a generalization of two existing transfer learning extensions to Bayesian optimization and establish a worst-case bound compared to vanilla Bayesian optimization. Using a large collection of hyperparameter optimization benchmark problems, we demonstrate that our contributions substantially reduce optimization time compared to standard Gaussian process-based Bayesian optimization and improve over the current state-of-the-art for transfer hyperparameter optimization.

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Bayesian networks (BNs) are a widely used graphical model in machine learning for representing knowledge with uncertainty. The mainstream BN structure learning methods require performing a large number of conditional independence (CI) tests. The learning process is very time-consuming, especially for high-dimensional problems, which hinders the adoption of BNs to more applications. Existing works attempt to accelerate the learning process with parallelism, but face issues including load unbalancing, costly atomic operations and dominant parallel overhead. In this paper, we propose a fast solution named Fast-BNS on multi-core CPUs to enhance the efficiency of the BN structure learning. Fast-BNS is powered by a series of efficiency optimizations including (i) designing a dynamic work pool to monitor the processing of edges and to better schedule the workloads among threads, (ii) grouping the CI tests of the edges with the same endpoints to reduce the number of unnecessary CI tests, (iii) using a cache-friendly data storage to improve the memory efficiency, and (iv) generating the conditioning sets on-the-fly to avoid extra memory consumption. A comprehensive experimental study shows that the sequential version of Fast-BNS is up to 50 times faster than its counterpart, and the parallel version of Fast-BNS achieves 4.8 to 24.5 times speedup over the state-of-the-art multi-threaded solution. Moreover, Fast-BNS has a good scalability to the network size as well as sample size. Fast-BNS source code is freely available at //github.com/jjiantong/FastBN.

It is common to address the curse of dimensionality in Markov decision processes (MDPs) by exploiting low-rank representations. This motivates much of the recent theoretical study on linear MDPs. However, most approaches require a given representation under unrealistic assumptions about the normalization of the decomposition or introduce unresolved computational challenges in practice. Instead, we consider an alternative definition of linear MDPs that automatically ensures normalization while allowing efficient representation learning via contrastive estimation. The framework also admits confidence-adjusted index algorithms, enabling an efficient and principled approach to incorporating optimism or pessimism in the face of uncertainty. To the best of our knowledge, this provides the first practical representation learning method for linear MDPs that achieves both strong theoretical guarantees and empirical performance. Theoretically, we prove that the proposed algorithm is sample efficient in both the online and offline settings. Empirically, we demonstrate superior performance over existing state-of-the-art model-based and model-free algorithms on several benchmarks.

We present a federated learning framework that is designed to robustly deliver good predictive performance across individual clients with heterogeneous data. The proposed approach hinges upon a superquantile-based learning objective that captures the tail statistics of the error distribution over heterogeneous clients. We present a stochastic training algorithm that interleaves differentially private client filtering with federated averaging steps. We prove finite time convergence guarantees for the algorithm: $O(1/\sqrt{T})$ in the nonconvex case in $T$ communication rounds and $O(\exp(-T/\kappa^{3/2}) + \kappa/T)$ in the strongly convex case with local condition number $\kappa$. Experimental results on benchmark datasets for federated learning demonstrate that our approach is competitive with classical ones in terms of average error and outperforms them in terms of tail statistics of the error.

Few-shot learning (FSL) methods typically assume clean support sets with accurately labeled samples when training on novel classes. This assumption can often be unrealistic: support sets, no matter how small, can still include mislabeled samples. Robustness to label noise is therefore essential for FSL methods to be practical, but this problem surprisingly remains largely unexplored. To address mislabeled samples in FSL settings, we make several technical contributions. (1) We offer simple, yet effective, feature aggregation methods, improving the prototypes used by ProtoNet, a popular FSL technique. (2) We describe a novel Transformer model for Noisy Few-Shot Learning (TraNFS). TraNFS leverages a transformer's attention mechanism to weigh mislabeled versus correct samples. (3) Finally, we extensively test these methods on noisy versions of MiniImageNet and TieredImageNet. Our results show that TraNFS is on-par with leading FSL methods on clean support sets, yet outperforms them, by far, in the presence of label noise.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.

Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize from few samples, GNN usually suffers from severe over-fitting and over-smoothing as the model becomes deep, which limit the model scalability. In this work, we propose a novel Attentive GNN to tackle these challenges, by incorporating a triple-attention mechanism, \ie node self-attention, neighborhood attention, and layer memory attention. We explain why the proposed attentive modules can improve GNN for few-shot learning with theoretical analysis and illustrations. Extensive experiments show that the proposed Attentive GNN outperforms the state-of-the-art GNN-based methods for few-shot learning over the mini-ImageNet and Tiered-ImageNet datasets, with both inductive and transductive settings.

A comprehensive artificial intelligence system needs to not only perceive the environment with different `senses' (e.g., seeing and hearing) but also infer the world's conditional (or even causal) relations and corresponding uncertainty. The past decade has seen major advances in many perception tasks such as visual object recognition and speech recognition using deep learning models. For higher-level inference, however, probabilistic graphical models with their Bayesian nature are still more powerful and flexible. In recent years, Bayesian deep learning has emerged as a unified probabilistic framework to tightly integrate deep learning and Bayesian models. In this general framework, the perception of text or images using deep learning can boost the performance of higher-level inference and in turn, the feedback from the inference process is able to enhance the perception of text or images. This survey provides a comprehensive introduction to Bayesian deep learning and reviews its recent applications on recommender systems, topic models, control, etc. Besides, we also discuss the relationship and differences between Bayesian deep learning and other related topics such as Bayesian treatment of neural networks.

Convolutional neural networks (CNNs) have shown dramatic improvements in single image super-resolution (SISR) by using large-scale external samples. Despite their remarkable performance based on the external dataset, they cannot exploit internal information within a specific image. Another problem is that they are applicable only to the specific condition of data that they are supervised. For instance, the low-resolution (LR) image should be a "bicubic" downsampled noise-free image from a high-resolution (HR) one. To address both issues, zero-shot super-resolution (ZSSR) has been proposed for flexible internal learning. However, they require thousands of gradient updates, i.e., long inference time. In this paper, we present Meta-Transfer Learning for Zero-Shot Super-Resolution (MZSR), which leverages ZSSR. Precisely, it is based on finding a generic initial parameter that is suitable for internal learning. Thus, we can exploit both external and internal information, where one single gradient update can yield quite considerable results. (See Figure 1). With our method, the network can quickly adapt to a given image condition. In this respect, our method can be applied to a large spectrum of image conditions within a fast adaptation process.

Transfer learning aims at improving the performance of target learners on target domains by transferring the knowledge contained in different but related source domains. In this way, the dependence on a large number of target domain data can be reduced for constructing target learners. Due to the wide application prospects, transfer learning has become a popular and promising area in machine learning. Although there are already some valuable and impressive surveys on transfer learning, these surveys introduce approaches in a relatively isolated way and lack the recent advances in transfer learning. As the rapid expansion of the transfer learning area, it is both necessary and challenging to comprehensively review the relevant studies. This survey attempts to connect and systematize the existing transfer learning researches, as well as to summarize and interpret the mechanisms and the strategies in a comprehensive way, which may help readers have a better understanding of the current research status and ideas. Different from previous surveys, this survey paper reviews over forty representative transfer learning approaches from the perspectives of data and model. The applications of transfer learning are also briefly introduced. In order to show the performance of different transfer learning models, twenty representative transfer learning models are used for experiments. The models are performed on three different datasets, i.e., Amazon Reviews, Reuters-21578, and Office-31. And the experimental results demonstrate the importance of selecting appropriate transfer learning models for different applications in practice.

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