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Fast development in science and technology has driven the need for proper statistical tools to capture special data features such as abrupt changes or sharp contrast. Many inverse problems in data science require spatiotemporal solutions derived from a sequence of time-dependent objects with these spatial features, e.g., dynamic reconstruction of computerized tomography (CT) images with edges. Conventional methods based on Gaussian processes (GP) often fall short in providing satisfactory solutions since they tend to offer over-smooth priors. Recently, the Besov process (BP), defined by wavelet expansions with random coefficients, has emerged as a more suitable prior for Bayesian inverse problems of this nature. While BP excels in handling spatial inhomogeneity, it does not automatically incorporate temporal correlation inherited in the dynamically changing objects. In this paper, we generalize BP to a novel spatiotemporal Besov process (STBP) by replacing the random coefficients in the series expansion with stochastic time functions as Q-exponential process (Q-EP) which governs the temporal correlation structure. We thoroughly investigate the mathematical and statistical properties of STBP. A white-noise representation of STBP is also proposed to facilitate the inference. Simulations, two limited-angle CT reconstruction examples and a highly non-linear inverse problem involving Navier-Stokes equation are used to demonstrate the advantage of the proposed STBP in preserving spatial features while accounting for temporal changes compared with the classic STGP and a time-uncorrelated approach.

Graph representation learning has become a crucial task in machine learning and data mining due to its potential for modeling complex structures such as social networks, chemical compounds, and biological systems. Spiking neural networks (SNNs) have recently emerged as a promising alternative to traditional neural networks for graph learning tasks, benefiting from their ability to efficiently encode and process temporal and spatial information. In this paper, we propose a novel approach that integrates attention mechanisms with SNNs to improve graph representation learning. Specifically, we introduce an attention mechanism for SNN that can selectively focus on important nodes and corresponding features in a graph during the learning process. We evaluate our proposed method on several benchmark datasets and show that it achieves comparable performance compared to existing graph learning techniques.

Graph augmentation with contrastive learning has gained significant attention in the field of recommendation systems due to its ability to learn expressive user representations, even when labeled data is limited. However, directly applying existing GCL models to real-world recommendation environments poses challenges. There are two primary issues to address. Firstly, the lack of consideration for data noise in contrastive learning can result in noisy self-supervised signals, leading to degraded performance. Secondly, many existing GCL approaches rely on graph neural network (GNN) architectures, which can suffer from over-smoothing problems due to non-adaptive message passing. To address these challenges, we propose a principled framework called GraphAug. This framework introduces a robust data augmentor that generates denoised self-supervised signals, enhancing recommender systems. The GraphAug framework incorporates a graph information bottleneck (GIB)-regularized augmentation paradigm, which automatically distills informative self-supervision information and adaptively adjusts contrastive view generation. Through rigorous experimentation on real-world datasets, we thoroughly assessed the performance of our novel GraphAug model. The outcomes consistently unveil its superiority over existing baseline methods. The source code for our model is publicly available at: //github.com/HKUDS/GraphAug.

Effective coordination is crucial for motion control with reinforcement learning, especially as the complexity of agents and their motions increases. However, many existing methods struggle to account for the intricate dependencies between joints. We introduce CoordiGraph, a novel architecture that leverages subequivariant principles from physics to enhance coordination of motion control with reinforcement learning. This method embeds the principles of equivariance as inherent patterns in the learning process under gravity influence, which aids in modeling the nuanced relationships between joints vital for motion control. Through extensive experimentation with sophisticated agents in diverse environments, we highlight the merits of our approach. Compared to current leading methods, CoordiGraph notably enhances generalization and sample efficiency.

Accurate uncertainty quantification is necessary to enhance the reliability of deep learning models in real-world applications. In the case of regression tasks, prediction intervals (PIs) should be provided along with the deterministic predictions of deep learning models. Such PIs are useful or "high-quality" as long as they are sufficiently narrow and capture most of the probability density. In this paper, we present a method to learn prediction intervals for regression-based neural networks automatically in addition to the conventional target predictions. In particular, we train two companion neural networks: one that uses one output, the target estimate, and another that uses two outputs, the upper and lower bounds of the corresponding PI. Our main contribution is the design of a novel loss function for the PI-generation network that takes into account the output of the target-estimation network and has two optimization objectives: minimizing the mean prediction interval width and ensuring the PI integrity using constraints that maximize the prediction interval probability coverage implicitly. Furthermore, we introduce a self-adaptive coefficient that balances both objectives within the loss function, which alleviates the task of fine-tuning. Experiments using a synthetic dataset, eight benchmark datasets, and a real-world crop yield prediction dataset showed that our method was able to maintain a nominal probability coverage and produce significantly narrower PIs without detriment to its target estimation accuracy when compared to those PIs generated by three state-of-the-art neural-network-based methods. In other words, our method was shown to produce higher-quality PIs.

Federated Learning (FL) is a decentralized machine-learning paradigm, in which a global server iteratively averages the model parameters of local users without accessing their data. User heterogeneity has imposed significant challenges to FL, which can incur drifted global models that are slow to converge. Knowledge Distillation has recently emerged to tackle this issue, by refining the server model using aggregated knowledge from heterogeneous users, other than directly averaging their model parameters. This approach, however, depends on a proxy dataset, making it impractical unless such a prerequisite is satisfied. Moreover, the ensemble knowledge is not fully utilized to guide local model learning, which may in turn affect the quality of the aggregated model. Inspired by the prior art, we propose a data-free knowledge distillation} approach to address heterogeneous FL, where the server learns a lightweight generator to ensemble user information in a data-free manner, which is then broadcasted to users, regulating local training using the learned knowledge as an inductive bias. Empirical studies powered by theoretical implications show that, our approach facilitates FL with better generalization performance using fewer communication rounds, compared with the state-of-the-art.

Invariant approaches have been remarkably successful in tackling the problem of domain generalization, where the objective is to perform inference on data distributions different from those used in training. In our work, we investigate whether it is possible to leverage domain information from the unseen test samples themselves. We propose a domain-adaptive approach consisting of two steps: a) we first learn a discriminative domain embedding from unsupervised training examples, and b) use this domain embedding as supplementary information to build a domain-adaptive model, that takes both the input as well as its domain into account while making predictions. For unseen domains, our method simply uses few unlabelled test examples to construct the domain embedding. This enables adaptive classification on any unseen domain. Our approach achieves state-of-the-art performance on various domain generalization benchmarks. In addition, we introduce the first real-world, large-scale domain generalization benchmark, Geo-YFCC, containing 1.1M samples over 40 training, 7 validation, and 15 test domains, orders of magnitude larger than prior work. We show that the existing approaches either do not scale to this dataset or underperform compared to the simple baseline of training a model on the union of data from all training domains. In contrast, our approach achieves a significant improvement.

Knowledge graph embedding, which aims to represent entities and relations as low dimensional vectors (or matrices, tensors, etc.), has been shown to be a powerful technique for predicting missing links in knowledge graphs. Existing knowledge graph embedding models mainly focus on modeling relation patterns such as symmetry/antisymmetry, inversion, and composition. However, many existing approaches fail to model semantic hierarchies, which are common in real-world applications. To address this challenge, we propose a novel knowledge graph embedding model---namely, Hierarchy-Aware Knowledge Graph Embedding (HAKE)---which maps entities into the polar coordinate system. HAKE is inspired by the fact that concentric circles in the polar coordinate system can naturally reflect the hierarchy. Specifically, the radial coordinate aims to model entities at different levels of the hierarchy, and entities with smaller radii are expected to be at higher levels; the angular coordinate aims to distinguish entities at the same level of the hierarchy, and these entities are expected to have roughly the same radii but different angles. Experiments demonstrate that HAKE can effectively model the semantic hierarchies in knowledge graphs, and significantly outperforms existing state-of-the-art methods on benchmark datasets for the link prediction task.

Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis.