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In applied fields where the speed of inference and model flexibility are crucial, the use of Bayesian inference for models with a stochastic process as their prior, e.g. Gaussian processes (GPs) is ubiquitous. Recent literature has demonstrated that the computational bottleneck caused by GP priors or their finite realizations can be encoded using deep generative models such as variational autoencoders (VAEs), and the learned generators can then be used instead of the original priors during Markov chain Monte Carlo (MCMC) inference in a drop-in manner. While this approach enables fast and highly efficient inference, it loses information about the stochastic process hyperparameters, and, as a consequence, makes inference over hyperparameters impossible and the learned priors indistinct. We propose to resolve the aforementioned issue and disentangle the learned priors by conditioning the VAE on stochastic process hyperparameters. This way, the hyperparameters are encoded alongside GP realisations and can be explicitly estimated at the inference stage. We believe that the new method, termed PriorCVAE, will be a useful tool among approximate inference approaches and has the potential to have a large impact on spatial and spatiotemporal inference in crucial real-life applications. Code showcasing the PriorCVAE technique can be accessed via the following link: //github.com/elizavetasemenova/PriorCVAE

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The increasingly pervasive facial recognition (FR) systems raise serious concerns about personal privacy, especially for billions of users who have publicly shared their photos on social media. Several attempts have been made to protect individuals from being identified by unauthorized FR systems utilizing adversarial attacks to generate encrypted face images. However, existing methods suffer from poor visual quality or low attack success rates, which limit their utility. Recently, diffusion models have achieved tremendous success in image generation. In this work, we ask: can diffusion models be used to generate adversarial examples to improve both visual quality and attack performance? We propose DiffProtect, which utilizes a diffusion autoencoder to generate semantically meaningful perturbations on FR systems. Extensive experiments demonstrate that DiffProtect produces more natural-looking encrypted images than state-of-the-art methods while achieving significantly higher attack success rates, e.g., 24.5% and 25.1% absolute improvements on the CelebA-HQ and FFHQ datasets.

Traffic speed is central to characterizing the fluidity of the road network. Many transportation applications rely on it, such as real-time navigation, dynamic route planning, and congestion management. Rapid advances in sensing and communication techniques make traffic speed detection easier than ever. However, due to sparse deployment of static sensors or low penetration of mobile sensors, speeds detected are incomplete and far from network-wide use. In addition, sensors are prone to error or missing data due to various kinds of reasons, speeds from these sensors can become highly noisy. These drawbacks call for effective techniques to recover credible estimates from the incomplete data. In this work, we first identify the issue as a spatiotemporal kriging problem and propose a Laplacian enhanced low-rank tensor completion (LETC) framework featuring both lowrankness and multi-dimensional correlations for large-scale traffic speed kriging under limited observations. To be specific, three types of speed correlation including temporal continuity, temporal periodicity, and spatial proximity are carefully chosen and simultaneously modeled by three different forms of graph Laplacian, named temporal graph Fourier transform, generalized temporal consistency regularization, and diffusion graph regularization. We then design an efficient solution algorithm via several effective numeric techniques to scale up the proposed model to network-wide kriging. By performing experiments on two public million-level traffic speed datasets, we finally draw the conclusion and find our proposed LETC achieves the state-of-the-art kriging performance even under low observation rates, while at the same time saving more than half computing time compared with baseline methods. Some insights into spatiotemporal traffic data modeling and kriging at the network level are provided as well.

Deep neural networks (DNNs) have found successful applications in many fields, but their black-box nature hinders interpretability. This is addressed by the neural additive model (NAM), in which the network is divided into additive sub-networks, thus making apparent the interaction between input features and predictions. In this paper, we approach the additive structure from a Bayesian perspective and develop a practical Laplace approximation. This enhances interpretability in three primary ways: a) It provides credible intervals for the recovered feature interactions by estimating function-space uncertainty of the sub-networks; b) it yields a tractable estimate of the marginal likelihood, which can be used to perform an implicit selection of features through an empirical Bayes procedure; and c) it can be used to rank feature pairs as candidates for second-order interactions in fine-tuned interaction models. We show empirically that our proposed Laplace-approximated NAM (LA-NAM) improves performance and interpretability on tabular regression and classification datasets and challenging real-world medical tasks.

The subject of green AI has been gaining attention within the deep learning community given the recent trend of ever larger and more complex neural network models. Existing solutions for reducing the computational load of training at inference time usually involve pruning the network parameters. Pruning schemes often create extra overhead either by iterative training and fine-tuning for static pruning or repeated computation of a dynamic pruning graph. We propose a new parameter pruning strategy for learning a lighter-weight sub-network that minimizes the energy cost while maintaining comparable performance to the fully parameterised network on given downstream tasks. Our proposed pruning scheme is green-oriented, as it only requires a one-off training to discover the optimal static sub-networks by dynamic pruning methods. The pruning scheme consists of a binary gating module and a novel loss function to uncover sub-networks with user-defined sparsity. Our method enables pruning and training simultaneously, which saves energy in both the training and inference phases and avoids extra computational overhead from gating modules at inference time. Our results on CIFAR-10 and CIFAR-100 suggest that our scheme can remove 50% of connections in deep networks with 1% reduction in classification accuracy. Compared to other related pruning methods, our method demonstrates a lower drop in accuracy for equivalent reductions in computational cost.

Generating synthetic data, with or without differential privacy, has attracted significant attention as a potential solution to the dilemma between making data easily available, and the privacy of data subjects. Several works have shown that consistency of downstream analyses from synthetic data, including accurate uncertainty estimation, requires accounting for the synthetic data generation. There are very few methods of doing so, most of them for frequentist analysis. In this paper, we study how to perform consistent Bayesian inference from synthetic data. We prove that mixing posterior samples obtained separately from multiple large synthetic datasets converges to the posterior of the downstream analysis under standard regularity conditions when the analyst's model is compatible with the data provider's model. We show experimentally that this works in practice, unlocking consistent Bayesian inference from synthetic data while reusing existing downstream analysis methods.

Some of the most successful knowledge graph embedding (KGE) models for link prediction -- CP, RESCAL, TuckER, ComplEx -- can be interpreted as energy-based models. Under this perspective they are not amenable for exact maximum-likelihood estimation (MLE), sampling and struggle to integrate logical constraints. This work re-interprets the score functions of these KGEs as circuits -- constrained computational graphs allowing efficient marginalisation. Then, we design two recipes to obtain efficient generative circuit models by either restricting their activations to be non-negative or squaring their outputs. Our interpretation comes with little or no loss of performance for link prediction, while the circuits framework unlocks exact learning by MLE, efficient sampling of new triples, and guarantee that logical constraints are satisfied by design. Furthermore, our models scale more gracefully than the original KGEs on graphs with millions of entities.

Most modern imaging systems incorporate a computational pipeline to infer the image of interest from acquired measurements. The Bayesian approach to solve such ill-posed inverse problems involves the characterization of the posterior distribution of the image. It depends on the model of the imaging system and on prior knowledge on the image of interest. In this work, we present a Bayesian reconstruction framework for nonlinear imaging models where we specify the prior knowledge on the image through a deep generative model. We develop a tractable posterior-sampling scheme based on the Metropolis-adjusted Langevin algorithm for the class of nonlinear inverse problems where the forward model has a neural-network-like structure. This class includes most practical imaging modalities. We introduce the notion of augmented deep generative priors in order to suitably handle the recovery of quantitative images.We illustrate the advantages of our framework by applying it to two nonlinear imaging modalities-phase retrieval and optical diffraction tomography.

Generative models, as an important family of statistical modeling, target learning the observed data distribution via generating new instances. Along with the rise of neural networks, deep generative models, such as variational autoencoders (VAEs) and generative adversarial network (GANs), have made tremendous progress in 2D image synthesis. Recently, researchers switch their attentions from the 2D space to the 3D space considering that 3D data better aligns with our physical world and hence enjoys great potential in practice. However, unlike a 2D image, which owns an efficient representation (i.e., pixel grid) by nature, representing 3D data could face far more challenges. Concretely, we would expect an ideal 3D representation to be capable enough to model shapes and appearances in details, and to be highly efficient so as to model high-resolution data with fast speed and low memory cost. However, existing 3D representations, such as point clouds, meshes, and recent neural fields, usually fail to meet the above requirements simultaneously. In this survey, we make a thorough review of the development of 3D generation, including 3D shape generation and 3D-aware image synthesis, from the perspectives of both algorithms and more importantly representations. We hope that our discussion could help the community track the evolution of this field and further spark some innovative ideas to advance this challenging task.

Designing and generating new data under targeted properties has been attracting various critical applications such as molecule design, image editing and speech synthesis. Traditional hand-crafted approaches heavily rely on expertise experience and intensive human efforts, yet still suffer from the insufficiency of scientific knowledge and low throughput to support effective and efficient data generation. Recently, the advancement of deep learning induces expressive methods that can learn the underlying representation and properties of data. Such capability provides new opportunities in figuring out the mutual relationship between the structural patterns and functional properties of the data and leveraging such relationship to generate structural data given the desired properties. This article provides a systematic review of this promising research area, commonly known as controllable deep data generation. Firstly, the potential challenges are raised and preliminaries are provided. Then the controllable deep data generation is formally defined, a taxonomy on various techniques is proposed and the evaluation metrics in this specific domain are summarized. After that, exciting applications of controllable deep data generation are introduced and existing works are experimentally analyzed and compared. Finally, the promising future directions of controllable deep data generation are highlighted and five potential challenges are identified.

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.

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