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We present PHORHUM, a novel, end-to-end trainable, deep neural network methodology for photorealistic 3D human reconstruction given just a monocular RGB image. Our pixel-aligned method estimates detailed 3D geometry and, for the first time, the unshaded surface color together with the scene illumination. Observing that 3D supervision alone is not sufficient for high fidelity color reconstruction, we introduce patch-based rendering losses that enable reliable color reconstruction on visible parts of the human, and detailed and plausible color estimation for the non-visible parts. Moreover, our method specifically addresses methodological and practical limitations of prior work in terms of representing geometry, albedo, and illumination effects, in an end-to-end model where factors can be effectively disentangled. In extensive experiments, we demonstrate the versatility and robustness of our approach. Our state-of-the-art results validate the method qualitatively and for different metrics, for both geometric and color reconstruction.

Computer models are widely used in decision support for energy systems operation, planning and policy. A system of models is often employed, where model inputs themselves arise from other computer models, with each model being developed by different teams of experts. Gaussian Process emulators can be used to approximate the behaviour of complex, computationally intensive models and used to generate predictions together with a measure of uncertainty about the predicted model output. This paper presents a computationally efficient framework for propagating uncertainty within a network of models with high-dimensional outputs used for energy planning. We present a case study from a UK county council considering low carbon technologies to transform its infrastructure to reach a net-zero carbon target. The system model considered for this case study is simple, however the framework can be applied to larger networks of more complex models.

Bayesian policy reuse (BPR) is a general policy transfer framework for selecting a source policy from an offline library by inferring the task belief based on some observation signals and a trained observation model. In this paper, we propose an improved BPR method to achieve more efficient policy transfer in deep reinforcement learning (DRL). First, most BPR algorithms use the episodic return as the observation signal that contains limited information and cannot be obtained until the end of an episode. Instead, we employ the state transition sample, which is informative and instantaneous, as the observation signal for faster and more accurate task inference. Second, BPR algorithms usually require numerous samples to estimate the probability distribution of the tabular-based observation model, which may be expensive and even infeasible to learn and maintain, especially when using the state transition sample as the signal. Hence, we propose a scalable observation model based on fitting state transition functions of source tasks from only a small number of samples, which can generalize to any signals observed in the target task. Moreover, we extend the offline-mode BPR to the continual learning setting by expanding the scalable observation model in a plug-and-play fashion, which can avoid negative transfer when faced with new unknown tasks. Experimental results show that our method can consistently facilitate faster and more efficient policy transfer.

In this work, we introduce a novel approach to formulating an artificial viscosity for shock capturing in nonlinear hyperbolic systems by utilizing the property that the solutions of hyperbolic conservation laws are not reversible in time in the vicinity of shocks. The proposed approach does not require any additional governing equations or a priori knowledge of the hyperbolic system in question, is independent of the mesh and approximation order, and requires the use of only one tunable parameter. The primary novelty is that the resulting artificial viscosity is unique for each component of the conservation law which is advantageous for systems in which some components exhibit discontinuities while others do not. The efficacy of the method is shown in numerical experiments of multi-dimensional hyperbolic conservation laws such as nonlinear transport, Euler equations, and ideal magnetohydrodynamics using a high-order discontinuous spectral element method on unstructured grids.

Molecular mechanics (MM) potentials have long been a workhorse of computational chemistry. Leveraging accuracy and speed, these functional forms find use in a wide variety of applications in biomolecular modeling and drug discovery, from rapid virtual screening to detailed free energy calculations. Traditionally, MM potentials have relied on human-curated, inflexible, and poorly extensible discrete chemical perception rules or applying parameters to small molecules or biopolymers, making it difficult to optimize both types and parameters to fit quantum chemical or physical property data. Here, we propose an alternative approach that uses graph neural networks to perceive chemical environments, producing continuous atom embeddings from which valence and nonbonded parameters can be predicted using invariance-preserving layers. Since all stages are built from smooth neural functions, the entire process is modular and end-to-end differentiable with respect to model parameters, allowing new force fields to be easily constructed, extended, and applied to arbitrary molecules. We show that this approach is not only sufficiently expressive to reproduce legacy atom types, but that it can learn to accurately reproduce and extend existing molecular mechanics force fields. Trained with arbitrary loss functions, it can construct entirely new force fields self-consistently applicable to both biopolymers and small molecules directly from quantum chemical calculations, with superior fidelity than traditional atom or parameter typing schemes. When trained on the same quantum chemical small molecule dataset used to parameterize the openff-1.2.0 small molecule force field augmented with a peptide dataset, the resulting espaloma model shows superior accuracy vis-\`a-vis experiments in computing relative alchemical free energy calculations for a popular benchmark set.

The number of down-steps between pairs of up-steps in $k_t$-Dyck paths, a generalization of Dyck paths consisting of steps $\{(1, k), (1, -1)\}$ such that the path stays (weakly) above the line $y=-t$, is studied. Results are proved bijectively and by means of generating functions, and lead to several interesting identities as well as links to other combinatorial structures. In particular, there is a connection between $k_t$-Dyck paths and perforation patterns for punctured convolutional codes (binary matrices) used in coding theory. Surprisingly, upon restriction to usual Dyck paths this yields a new combinatorial interpretation of Catalan numbers.

Collision avoidance is a widely investigated topic in robotic applications. When applying collision avoidance techniques to a mobile robot, how to deal with the spatial structure of the robot still remains a challenge. In this paper, we design a configuration-aware safe control law by solving a Quadratic Programming (QP) with designed Control Barrier Functions (CBFs) constraints, which can safely navigate a mobile robotic arm to a desired region while avoiding collision with environmental obstacles. The advantage of our approach is that it correctly and in an elegant way incorporates the spatial structure of the mobile robotic arm. This is achieved by merging geometric restrictions among mobile robotic arm links into CBFs constraints. Simulations on a rigid rod and the modeled mobile robotic arm are performed to verify the feasibility and time-efficiency of proposed method. Numerical results about the time consuming for different degrees of freedom illustrate that our method scales well with dimension.

Modern neural network training relies heavily on data augmentation for improved generalization. After the initial success of label-preserving augmentations, there has been a recent surge of interest in label-perturbing approaches, which combine features and labels across training samples to smooth the learned decision surface. In this paper, we propose a new augmentation method that leverages the first and second moments extracted and re-injected by feature normalization. We replace the moments of the learned features of one training image by those of another, and also interpolate the target labels. As our approach is fast, operates entirely in feature space, and mixes different signals than prior methods, one can effectively combine it with existing augmentation methods. We demonstrate its efficacy across benchmark data sets in computer vision, speech, and natural language processing, where it consistently improves the generalization performance of highly competitive baseline networks.

The dominant sequence transduction models are based on complex recurrent or convolutional neural networks in an encoder-decoder configuration. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Experiments on two machine translation tasks show these models to be superior in quality while being more parallelizable and requiring significantly less time to train. Our model achieves 28.4 BLEU on the WMT 2014 English-to-German translation task, improving over the existing best results, including ensembles by over 2 BLEU. On the WMT 2014 English-to-French translation task, our model establishes a new single-model state-of-the-art BLEU score of 41.8 after training for 3.5 days on eight GPUs, a small fraction of the training costs of the best models from the literature. We show that the Transformer generalizes well to other tasks by applying it successfully to English constituency parsing both with large and limited training data.