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We propose cube thinning, a novel method for compressing the output of a MCMC (Markov chain Monte Carlo) algorithm when control variates are available. It amounts to resampling the initial MCMC sample (according to weights derived from control variates), while imposing equality constraints on averages of these control variates, using the cube method of [1]. Its main advantage is that its CPU cost is linear in N, the original sample size, and is constant in M, the required size for the compressed sample. This compares favourably to Stein thinning [2], which has complexity OpNM2q, and which requires the availability of the gradient of the target log-density (which automatically implies the availability of control variates). Our numerical experiments suggest that cube thinning is also competitive in terms of statistical error.

We study sampling from a target distribution $\nu_* = e^{-f}$ using the unadjusted Langevin Monte Carlo (LMC) algorithm when the potential $f$ satisfies a strong dissipativity condition and it is first-order smooth with a Lipschitz gradient. We prove that, initialized with a Gaussian random vector that has sufficiently small variance, iterating the LMC algorithm for $\widetilde{\mathcal{O}}(\lambda^2 d\epsilon^{-1})$ steps is sufficient to reach $\epsilon$-neighborhood of the target in both Chi-squared and Renyi divergence, where $\lambda$ is the logarithmic Sobolev constant of $\nu_*$. Our results do not require warm-start to deal with the exponential dimension dependency in Chi-squared divergence at initialization. In particular, for strongly convex and first-order smooth potentials, we show that the LMC algorithm achieves the rate estimate $\widetilde{\mathcal{O}}(d\epsilon^{-1})$ which improves the previously known rates in both of these metrics, under the same assumptions. Translating this rate to other metrics, our results also recover the state-of-the-art rate estimates in KL divergence, total variation and $2$-Wasserstein distance in the same setup. Finally, as we rely on the logarithmic Sobolev inequality, our framework covers a range of non-convex potentials that are first-order smooth and exhibit strong convexity outside of a compact region.

Attribute extrapolation in sample generation is challenging for deep neural networks operating beyond the training distribution. We formulate a new task for extrapolation in sequence generation, focusing on natural language and proteins, and propose GENhance, a generative framework that enhances attributes through a learned latent space. Trained on movie reviews and a computed protein stability dataset, GENhance can generate strongly-positive text reviews and highly stable protein sequences without being exposed to similar data during training. We release our benchmark tasks and models to contribute to the study of generative modeling extrapolation and data-driven design in biology and chemistry.

The introduction of cloud computing has provided opportunities for small businesses to implement enterprise systems (ES) in their organizations and thereby improve their business processes. While there have been many studies focusing on ES implementation among medium-large sized firms, the factors that influence the implementations of ES in such firms are different to that of small firms. This teaching case discusses an implementation of a cloud enterprise resource planning (ERP) system in a small firm in the Asian region. The case illustrates factors that enabled successful implementation of a cloud ERP system in a small firm and the lessons learnt through this successful endeavor. The case study and the teaching notes are suitable for any undergraduate or postgraduate cohort, following a course in management information systems.

While existing work in robust deep learning has focused on small pixel-level $\ell_p$ norm-based perturbations, this may not account for perturbations encountered in several real world settings. In many such cases although test data might not be available, broad specifications about the types of perturbations (such as an unknown degree of rotation) may be known. We consider a setup where robustness is expected over an unseen test domain that is not i.i.d. but deviates from the training domain. While this deviation may not be exactly known, its broad characterization is specified a priori, in terms of attributes. We propose an adversarial training approach which learns to generate new samples so as to maximize exposure of the classifier to the attributes-space, without having access to the data from the test domain. Our adversarial training solves a min-max optimization problem, with the inner maximization generating adversarial perturbations, and the outer minimization finding model parameters by optimizing the loss on adversarial perturbations generated from the inner maximization. We demonstrate the applicability of our approach on three types of naturally occurring perturbations -- object-related shifts, geometric transformations, and common image corruptions. Our approach enables deep neural networks to be robust against a wide range of naturally occurring perturbations. We demonstrate the usefulness of the proposed approach by showing the robustness gains of deep neural networks trained using our adversarial training on MNIST, CIFAR-10, and a new variant of the CLEVR dataset.

Most existing work on automated fact checking is concerned with predicting the veracity of claims based on metadata, social network spread, language used in claims, and, more recently, evidence supporting or denying claims. A crucial piece of the puzzle that is still missing is to understand how to automate the most elaborate part of the process -- generating justifications for verdicts on claims. This paper provides the first study of how these explanations can be generated automatically based on available claim context, and how this task can be modelled jointly with veracity prediction. Our results indicate that optimising both objectives at the same time, rather than training them separately, improves the performance of a fact checking system. The results of a manual evaluation further suggest that the informativeness, coverage and overall quality of the generated explanations are also improved in the multi-task model.

GPipe is a scalable pipeline parallelism library that enables learning of giant deep neural networks. It partitions network layers across accelerators and pipelines execution to achieve high hardware utilization. It leverages recomputation to minimize activation memory usage. For example, using partitions over 8 accelerators, it is able to train networks that are 25x larger, demonstrating its scalability. It also guarantees that the computed gradients remain consistent regardless of the number of partitions. It achieves an almost linear speed up without any changes in the model parameters: when using 4x more accelerators, training the same model is up to 3.5x faster. We train a 557 million parameters AmoebaNet model on ImageNet and achieve a new state-of-the-art 84.3% top-1 / 97.0% top-5 accuracy on ImageNet. Finally, we use this learned model as an initialization for training 7 different popular image classification datasets and obtain results that exceed the best published ones on 5 of them, including pushing the CIFAR-10 accuracy to 99% and CIFAR-100 accuracy to 91.3%.

Matter evolved under influence of gravity from minuscule density fluctuations. Non-perturbative structure formed hierarchically over all scales, and developed non-Gaussian features in the Universe, known as the Cosmic Web. To fully understand the structure formation of the Universe is one of the holy grails of modern astrophysics. Astrophysicists survey large volumes of the Universe and employ a large ensemble of computer simulations to compare with the observed data in order to extract the full information of our own Universe. However, to evolve trillions of galaxies over billions of years even with the simplest physics is a daunting task. We build a deep neural network, the Deep Density Displacement Model (hereafter D$^3$M), to predict the non-linear structure formation of the Universe from simple linear perturbation theory. Our extensive analysis, demonstrates that D$^3$M outperforms the second order perturbation theory (hereafter 2LPT), the commonly used fast approximate simulation method, in point-wise comparison, 2-point correlation, and 3-point correlation. We also show that D$^3$M is able to accurately extrapolate far beyond its training data, and predict structure formation for significantly different cosmological parameters. Our study proves, for the first time, that deep learning is a practical and accurate alternative to approximate simulations of the gravitational structure formation of the Universe.

Neural machine translation (NMT) has a drawback in that can generate only high-frequency words owing to the computational costs of the softmax function in the output layer. In Japanese-English NMT, Japanese predicate conjugation causes an increase in vocabulary size. For example, one verb can have as many as 19 surface varieties. In this research, we focus on predicate conjugation for compressing the vocabulary size in Japanese. The vocabulary list is filled with the various forms of verbs. We propose methods using predicate conjugation information without discarding linguistic information. The proposed methods can generate low-frequency words and deal with unknown words. Two methods were considered to introduce conjugation information: the first considers it as a token (conjugation token) and the second considers it as an embedded vector (conjugation feature). The results using these methods demonstrate that the vocabulary size can be compressed by approximately 86.1% (Tanaka corpus) and the NMT models can output the words not in the training data set. Furthermore, BLEU scores improved by 0.91 points in Japanese-to-English translation, and 0.32 points in English-to-Japanese translation with ASPEC.

Quantum machine learning is expected to be one of the first potential general-purpose applications of near-term quantum devices. A major recent breakthrough in classical machine learning is the notion of generative adversarial training, where the gradients of a discriminator model are used to train a separate generative model. In this work and a companion paper, we extend adversarial training to the quantum domain and show how to construct generative adversarial networks using quantum circuits. Furthermore, we also show how to compute gradients -- a key element in generative adversarial network training -- using another quantum circuit. We give an example of a simple practical circuit ansatz to parametrize quantum machine learning models and perform a simple numerical experiment to demonstrate that quantum generative adversarial networks can be trained successfully.