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The integrating factor technique is widely used to solve numerically (in particular) the Schr\"odinger equation in the context of spectral methods. Here, we present an improvement of this method exploiting the freedom provided by the gauge condition of the potential. Optimal gauge conditions are derived considering the equation and the temporal numerical resolution with an adaptive embedded scheme of arbitrary order. We illustrate this approach with the nonlinear Schr\"odinger (NLS) and with the Schr\"odinger-Newton (SN) equations. We show that this optimization increases significantly the overall computational speed, sometimes by a factor five or more. This gain is crucial for long time simulations.

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Recent work has shown potential in using Mixed Integer Programming (MIP) solvers to optimize certain aspects of neural networks (NNs). However the intriguing approach of training NNs with MIP solvers is under-explored. State-of-the-art-methods to train NNs are typically gradient-based and require significant data, computation on GPUs, and extensive hyper-parameter tuning. In contrast, training with MIP solvers does not require GPUs or heavy hyper-parameter tuning, but currently cannot handle anything but small amounts of data. This article builds on recent advances that train binarized NNs using MIP solvers. We go beyond current work by formulating new MIP models which improve training efficiency and which can train the important class of integer-valued neural networks (INNs). We provide two novel methods to further the potential significance of using MIP to train NNs. The first method optimizes the number of neurons in the NN while training. This reduces the need for deciding on network architecture before training. The second method addresses the amount of training data which MIP can feasibly handle: we provide a batch training method that dramatically increases the amount of data that MIP solvers can use to train. We thus provide a promising step towards using much more data than before when training NNs using MIP models. Experimental results on two real-world data-limited datasets demonstrate that our approach strongly outperforms the previous state of the art in training NN with MIP, in terms of accuracy, training time and amount of data. Our methodology is proficient at training NNs when minimal training data is available, and at training with minimal memory requirements -- which is potentially valuable for deploying to low-memory devices.

Retinal fundus images can be an invaluable diagnosis tool for screening epidemic diseases like hypertension or diabetes. And they become especially useful when the arterioles and venules they depict are clearly identified and annotated. However, manual annotation of these vessels is extremely time demanding and taxing, which calls for automatic segmentation. Although convolutional neural networks can achieve high overlap between predictions and expert annotations, they often fail to produce topologically correct predictions of tubular structures. This situation is exacerbated by the bifurcation versus crossing ambiguity which causes classification mistakes. This paper shows that including a topology preserving term in the loss function improves the continuity of the segmented vessels, although at the expense of artery-vein misclassification and overall lower overlap metrics. However, we show that by including an orientation score guided convolutional module, based on the anisotropic single sided cake wavelet, we reduce such misclassification and further increase the topology correctness of the results. We evaluate our model on public datasets with conveniently chosen metrics to assess both overlap and topology correctness, showing that our model is able to produce results on par with state-of-the-art from the point of view of overlap, while increasing topological accuracy.

Temporal action segmentation is crucial for understanding long-form videos. Previous works on this task commonly adopt an iterative refinement paradigm by using multi-stage models. Our paper proposes an essentially different framework via denoising diffusion models, which nonetheless shares the same inherent spirit of such iterative refinement. In this framework, action predictions are progressively generated from random noise with input video features as conditions. To enhance the modeling of three striking characteristics of human actions, including the position prior, the boundary ambiguity, and the relational dependency, we devise a unified masking strategy for the conditioning inputs in our framework. Extensive experiments on three benchmark datasets, i.e., GTEA, 50Salads, and Breakfast, are performed and the proposed method achieves superior or comparable results to state-of-the-art methods, showing the effectiveness of a generative approach for action segmentation. Our codes will be made available.

The static optimal transport $(\mathrm{OT})$ problem between Gaussians seeks to recover an optimal map, or more generally a coupling, to morph a Gaussian into another. It has been well studied and applied to a wide variety of tasks. Here we focus on the dynamic formulation of OT, also known as the Schr\"odinger bridge (SB) problem, which has recently seen a surge of interest in machine learning due to its connections with diffusion-based generative models. In contrast to the static setting, much less is known about the dynamic setting, even for Gaussian distributions. In this paper, we provide closed-form expressions for SBs between Gaussian measures. In contrast to the static Gaussian OT problem, which can be simply reduced to studying convex programs, our framework for solving SBs requires significantly more involved tools such as Riemannian geometry and generator theory. Notably, we establish that the solutions of SBs between Gaussian measures are themselves Gaussian processes with explicit mean and covariance kernels, and thus are readily amenable for many downstream applications such as generative modeling or interpolation. To demonstrate the utility, we devise a new method for modeling the evolution of single-cell genomics data and report significantly improved numerical stability compared to existing SB-based approaches.

A key requirement for the success of supervised deep learning is a large labeled dataset - a condition that is difficult to meet in medical image analysis. Self-supervised learning (SSL) can help in this regard by providing a strategy to pre-train a neural network with unlabeled data, followed by fine-tuning for a downstream task with limited annotations. Contrastive learning, a particular variant of SSL, is a powerful technique for learning image-level representations. In this work, we propose strategies for extending the contrastive learning framework for segmentation of volumetric medical images in the semi-supervised setting with limited annotations, by leveraging domain-specific and problem-specific cues. Specifically, we propose (1) novel contrasting strategies that leverage structural similarity across volumetric medical images (domain-specific cue) and (2) a local version of the contrastive loss to learn distinctive representations of local regions that are useful for per-pixel segmentation (problem-specific cue). We carry out an extensive evaluation on three Magnetic Resonance Imaging (MRI) datasets. In the limited annotation setting, the proposed method yields substantial improvements compared to other self-supervision and semi-supervised learning techniques. When combined with a simple data augmentation technique, the proposed method reaches within 8% of benchmark performance using only two labeled MRI volumes for training, corresponding to only 4% (for ACDC) of the training data used to train the benchmark.

Properly handling missing data is a fundamental challenge in recommendation. Most present works perform negative sampling from unobserved data to supply the training of recommender models with negative signals. Nevertheless, existing negative sampling strategies, either static or adaptive ones, are insufficient to yield high-quality negative samples --- both informative to model training and reflective of user real needs. In this work, we hypothesize that item knowledge graph (KG), which provides rich relations among items and KG entities, could be useful to infer informative and factual negative samples. Towards this end, we develop a new negative sampling model, Knowledge Graph Policy Network (KGPolicy), which works as a reinforcement learning agent to explore high-quality negatives. Specifically, by conducting our designed exploration operations, it navigates from the target positive interaction, adaptively receives knowledge-aware negative signals, and ultimately yields a potential negative item to train the recommender. We tested on a matrix factorization (MF) model equipped with KGPolicy, and it achieves significant improvements over both state-of-the-art sampling methods like DNS and IRGAN, and KG-enhanced recommender models like KGAT. Further analyses from different angles provide insights of knowledge-aware sampling. We release the codes and datasets at //github.com/xiangwang1223/kgpolicy.

With the rise of knowledge graph (KG), question answering over knowledge base (KBQA) has attracted increasing attention in recent years. Despite much research has been conducted on this topic, it is still challenging to apply KBQA technology in industry because business knowledge and real-world questions can be rather complicated. In this paper, we present AliMe-KBQA, a bold attempt to apply KBQA in the E-commerce customer service field. To handle real knowledge and questions, we extend the classic "subject-predicate-object (SPO)" structure with property hierarchy, key-value structure and compound value type (CVT), and enhance traditional KBQA with constraints recognition and reasoning ability. We launch AliMe-KBQA in the Marketing Promotion scenario for merchants during the "Double 11" period in 2018 and other such promotional events afterwards. Online results suggest that AliMe-KBQA is not only able to gain better resolution and improve customer satisfaction, but also becomes the preferred knowledge management method by business knowledge staffs since it offers a more convenient and efficient management experience.

With the rapid increase of large-scale, real-world datasets, it becomes critical to address the problem of long-tailed data distribution (i.e., a few classes account for most of the data, while most classes are under-represented). Existing solutions typically adopt class re-balancing strategies such as re-sampling and re-weighting based on the number of observations for each class. In this work, we argue that as the number of samples increases, the additional benefit of a newly added data point will diminish. We introduce a novel theoretical framework to measure data overlap by associating with each sample a small neighboring region rather than a single point. The effective number of samples is defined as the volume of samples and can be calculated by a simple formula $(1-\beta^{n})/(1-\beta)$, where $n$ is the number of samples and $\beta \in [0,1)$ is a hyperparameter. We design a re-weighting scheme that uses the effective number of samples for each class to re-balance the loss, thereby yielding a class-balanced loss. Comprehensive experiments are conducted on artificially induced long-tailed CIFAR datasets and large-scale datasets including ImageNet and iNaturalist. Our results show that when trained with the proposed class-balanced loss, the network is able to achieve significant performance gains on long-tailed datasets.

Multivariate time series forecasting is extensively studied throughout the years with ubiquitous applications in areas such as finance, traffic, environment, etc. Still, concerns have been raised on traditional methods for incapable of modeling complex patterns or dependencies lying in real word data. To address such concerns, various deep learning models, mainly Recurrent Neural Network (RNN) based methods, are proposed. Nevertheless, capturing extremely long-term patterns while effectively incorporating information from other variables remains a challenge for time-series forecasting. Furthermore, lack-of-explainability remains one serious drawback for deep neural network models. Inspired by Memory Network proposed for solving the question-answering task, we propose a deep learning based model named Memory Time-series network (MTNet) for time series forecasting. MTNet consists of a large memory component, three separate encoders, and an autoregressive component to train jointly. Additionally, the attention mechanism designed enable MTNet to be highly interpretable. We can easily tell which part of the historic data is referenced the most.

Image segmentation is considered to be one of the critical tasks in hyperspectral remote sensing image processing. Recently, convolutional neural network (CNN) has established itself as a powerful model in segmentation and classification by demonstrating excellent performances. The use of a graphical model such as a conditional random field (CRF) contributes further in capturing contextual information and thus improving the segmentation performance. In this paper, we propose a method to segment hyperspectral images by considering both spectral and spatial information via a combined framework consisting of CNN and CRF. We use multiple spectral cubes to learn deep features using CNN, and then formulate deep CRF with CNN-based unary and pairwise potential functions to effectively extract the semantic correlations between patches consisting of three-dimensional data cubes. Effective piecewise training is applied in order to avoid the computationally expensive iterative CRF inference. Furthermore, we introduce a deep deconvolution network that improves the segmentation masks. We also introduce a new dataset and experimented our proposed method on it along with several widely adopted benchmark datasets to evaluate the effectiveness of our method. By comparing our results with those from several state-of-the-art models, we show the promising potential of our method.

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