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We introduce CaloFlow, a fast detector simulation framework based on normalizing flows. For the first time, we demonstrate that normalizing flows can reproduce many-channel calorimeter showers with extremely high fidelity, providing a fresh alternative to computationally expensive GEANT4 simulations, as well as other state-of-the-art fast simulation frameworks based on GANs and VAEs. Besides the usual histograms of physical features and images of calorimeter showers, we introduce a new metric for judging the quality of generative modeling: the performance of a classifier trained to differentiate real from generated images. We show that GAN-generated images can be identified by the classifier with nearly 100% accuracy, while images generated from CaloFlow are better able to fool the classifier. More broadly, normalizing flows offer several advantages compared to other state-of-the-art approaches (GANs and VAEs), including: tractable likelihoods; stable and convergent training; and principled model selection. Normalizing flows also provide a bijective mapping between data and the latent space, which could have other applications beyond simulation, for example, to detector unfolding.

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Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the distribution of potential outcomes. In this work, we estimate the density of potential outcomes after interventions from observational data. For this, we propose a novel, fully-parametric deep learning method called Interventional Normalizing Flows. Specifically, we combine two normalizing flows, namely (i) a nuisance flow for estimating nuisance parameters and (ii) a target flow for parametric estimation of the density of potential outcomes. We further develop a tractable optimization objective based on a one-step bias correction for efficient and doubly robust estimation of the target flow parameters. As a result, our Interventional Normalizing Flows offer a properly normalized density estimator. Across various experiments, we demonstrate that our Interventional Normalizing Flows are expressive and highly effective, and scale well with both sample size and high-dimensional confounding. To the best of our knowledge, our Interventional Normalizing Flows are the first proper fully-parametric, deep learning method for density estimation of potential outcomes.

Gaussian Process Networks (GPNs) are a class of directed graphical models which employ Gaussian processes as priors for the conditional expectation of each variable given its parents in the network. The model allows describing continuous joint distributions in a compact but flexible manner with minimal parametric assumptions on the dependencies between variables. Bayesian structure learning of GPNs requires computing the posterior over graphs of the network and is computationally infeasible even in low dimensions. This work implements Monte Carlo and Markov Chain Monte Carlo methods to sample from the posterior distribution of network structures. As such, the approach follows the Bayesian paradigm, comparing models via their marginal likelihood and computing the posterior probability of the GPN features. Simulation studies show that our method outperforms state-of-the-art algorithms in recovering the graphical structure of the network and provides an accurate approximation of its posterior distribution.

Eye blinking detection in the wild plays an essential role in deception detection, driving fatigue detection, etc. Despite the fact that numerous attempts have already been made, the majority of them have encountered difficulties, such as the derived eye images having different resolutions as the distance between the face and the camera changes; or the requirement of a lightweight detection model to obtain a short inference time in order to perform in real-time. In this research, two problems are addressed: how the eye blinking detection model can learn efficiently from different resolutions of eye pictures in diverse conditions; and how to reduce the size of the detection model for faster inference time. We propose to utilize upsampling and downsampling the input eye images to the same resolution as one potential solution for the first problem, then find out which interpolation method can result in the highest performance of the detection model. For the second problem, although a recent spatiotemporal convolutional neural network used for eye blinking detection has a strong capacity to extract both spatial and temporal characteristics, it remains having a high number of network parameters, leading to high inference time. Therefore, using Depth-wise Separable Convolution rather than conventional convolution layers inside each branch is considered in this paper as a feasible solution.

Large-scale administrative or observational datasets are increasingly used to inform decision making. While this effort aims to ground policy in real-world evidence, challenges have arise as that selection bias and other forms of distribution shift often plague observational data. Previous attempts to provide robust inferences have given guarantees depending on a user-specified amount of possible distribution shift (e.g., the maximum KL divergence between the observed and target distributions). However, decision makers will often have additional knowledge about the target distribution which constrains the kind of shifts which are possible. To leverage such information, we proposed a framework that enables statistical inference in the presence of distribution shifts which obey user-specified constraints in the form of functions whose expectation is known under the target distribution. The output is high-probability bounds on the value an estimand takes on the target distribution. Hence, our method leverages domain knowledge in order to partially identify a wide class of estimands. We analyze the computational and statistical properties of methods to estimate these bounds, and show that our method can produce informative bounds on a variety of simulated and semisynthetic tasks.

Machine learning (ML) models are costly to train as they can require a significant amount of data, computational resources and technical expertise. Thus, they constitute valuable intellectual property that needs protection from adversaries wanting to steal them. Ownership verification techniques allow the victims of model stealing attacks to demonstrate that a suspect model was in fact stolen from theirs. Although a number of ownership verification techniques based on watermarking or fingerprinting have been proposed, most of them fall short either in terms of security guarantees (well-equipped adversaries can evade verification) or computational cost. A fingerprinting technique, Dataset Inference (DI), has been shown to offer better robustness and efficiency than prior methods. The authors of DI provided a correctness proof for linear (suspect) models. However, in a subspace of the same setting, we prove that DI suffers from high false positives (FPs) -- it can incorrectly identify an independent model trained with non-overlapping data from the same distribution as stolen. We further prove that DI also triggers FPs in realistic, non-linear suspect models. We then confirm empirically that DI in the black-box setting leads to FPs, with high confidence. Second, we show that DI also suffers from false negatives (FNs) -- an adversary can fool DI (at the cost of incurring some accuracy loss) by regularising a stolen model's decision boundaries using adversarial training, thereby leading to an FN. To this end, we demonstrate that black-box DI fails to identify a model adversarially trained from a stolen dataset -- the setting where DI is the hardest to evade. Finally, we discuss the implications of our findings, the viability of fingerprinting-based ownership verification in general, and suggest directions for future work.

We explore two approaches to creatively altering vocal timbre using Differentiable Digital Signal Processing (DDSP). The first approach is inspired by classic cross-synthesis techniques. A pretrained DDSP decoder predicts a filter for a noise source and a harmonic distribution, based on pitch and loudness information extracted from the vocal input. Before synthesis, the harmonic distribution is modified by interpolating between the predicted distribution and the harmonics of the input. We provide a real-time implementation of this approach in the form of a Neutone model. In the second approach, autoencoder models are trained on datasets consisting of both vocal and instrument training data. To apply the effect, the trained autoencoder attempts to reconstruct the vocal input. We find that there is a desirable "sweet spot" during training, where the model has learned to reconstruct the phonetic content of the input vocals, but is still affected by the timbre of the instrument mixed into the training data. After further training, that effect disappears. A perceptual evaluation compares the two approaches. We find that the autoencoder in the second approach is able to reconstruct intelligible lyrical content without any explicit phonetic information provided during training.

Learning the kernel parameters for Gaussian processes is often the computational bottleneck in applications such as online learning, Bayesian optimization, or active learning. Amortizing parameter inference over different datasets is a promising approach to dramatically speed up training time. However, existing methods restrict the amortized inference procedure to a fixed kernel structure. The amortization network must be redesigned manually and trained again in case a different kernel is employed, which leads to a large overhead in design time and training time. We propose amortizing kernel parameter inference over a complete kernel-structure-family rather than a fixed kernel structure. We do that via defining an amortization network over pairs of datasets and kernel structures. This enables fast kernel inference for each element in the kernel family without retraining the amortization network. As a by-product, our amortization network is able to do fast ensembling over kernel structures. In our experiments, we show drastically reduced inference time combined with competitive test performance for a large set of kernels and datasets.

Understanding how well a deep generative model captures a distribution of high-dimensional data remains an important open challenge. It is especially difficult for certain model classes, such as Generative Adversarial Networks and Diffusion Models, whose models do not admit exact likelihoods. In this work, we demonstrate that generalized empirical likelihood (GEL) methods offer a family of diagnostic tools that can identify many deficiencies of deep generative models (DGMs). We show, with appropriate specification of moment conditions, that the proposed method can identify which modes have been dropped, the degree to which DGMs are mode imbalanced, and whether DGMs sufficiently capture intra-class diversity. We show how to combine techniques from Maximum Mean Discrepancy and Generalized Empirical Likelihood to create not only distribution tests that retain per-sample interpretability, but also metrics that include label information. We find that such tests predict the degree of mode dropping and mode imbalance up to 60% better than metrics such as improved precision/recall.

Bayesian neural networks (BNNs) provide a formalism to quantify and calibrate uncertainty in deep learning. Current inference approaches for BNNs often resort to few-sample estimation for scalability, which can harm predictive performance, while its alternatives tend to be computationally prohibitively expensive. We tackle this challenge by revealing a previously unseen connection between inference on BNNs and volume computation problems. With this observation, we introduce a novel collapsed inference scheme that performs Bayesian model averaging using collapsed samples. It improves over a Monte-Carlo sample by limiting sampling to a subset of the network weights while pairing it with some closed-form conditional distribution over the rest. A collapsed sample represents uncountably many models drawn from the approximate posterior and thus yields higher sample efficiency. Further, we show that the marginalization of a collapsed sample can be solved analytically and efficiently despite the non-linearity of neural networks by leveraging existing volume computation solvers. Our proposed use of collapsed samples achieves a balance between scalability and accuracy. On various regression and classification tasks, our collapsed Bayesian deep learning approach demonstrates significant improvements over existing methods and sets a new state of the art in terms of uncertainty estimation as well as predictive performance.

Precision and Recall are two prominent metrics of generative performance, which were proposed to separately measure the fidelity and diversity of generative models. Given their central role in comparing and improving generative models, understanding their limitations are crucially important. To that end, in this work, we identify a critical flaw in the common approximation of these metrics using k-nearest-neighbors, namely, that the very interpretations of fidelity and diversity that are assigned to Precision and Recall can fail in high dimensions, resulting in very misleading conclusions. Specifically, we empirically and theoretically show that as the number of dimensions grows, two model distributions with supports at equal point-wise distance from the support of the real distribution, can have vastly different Precision and Recall regardless of their respective distributions, hence an emergent asymmetry in high dimensions. Based on our theoretical insights, we then provide simple yet effective modifications to these metrics to construct symmetric metrics regardless of the number of dimensions. Finally, we provide experiments on real-world datasets to illustrate that the identified flaw is not merely a pathological case, and that our proposed metrics are effective in alleviating its impact.

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