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VORO++ is a software library written in C++ for computing the Voronoi tessellation, a technique in computational geometry that is widely used for analyzing systems of particles. VORO++ was released in 2009 and is based on computing the Voronoi cell for each particle individually. Here, we take advantage of modern computer hardware, and extend the original serial version to allow for multithreaded computation of Voronoi cells via the OpenMP application programming interface. We test the performance of the code, and demonstrate that we can achieve parallel efficiencies greater than 95% in many cases. The multithreaded extension follows standard OpenMP programming paradigms, allowing it to be incorporated into other programs. We provide an example of this using the VoroTop software library, performing a multithreaded Voronoi cell topology analysis of up to 102.4 million particles.

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iOS 8 提供的應用間和應用跟系統的功能交互特性。
  • Today (iOS and OS X): widgets for the Today view of Notification Center
  • Share (iOS and OS X): post content to web services or share content with others
  • Actions (iOS and OS X): app extensions to view or manipulate inside another app
  • Photo Editing (iOS): edit a photo or video in Apple's Photos app with extensions from a third-party apps
  • Finder Sync (OS X): remote file storage in the Finder with support for Finder content annotation
  • Storage Provider (iOS): an interface between files inside an app and other apps on a user's device
  • Custom Keyboard (iOS): system-wide alternative keyboards

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The first linear programming bound of McEliece, Rodemich, Rumsey, and Welch is the best known asymptotic upper bound for binary codes, for a certain subrange of distances. Starting from the work of Friedman and Tillich, there are, by now, some arguably easier and more direct arguments for this bound. We show that this more recent line of argument runs into certain difficulties if one tries to go beyond this bound (say, towards the second linear programming bound of McEliece, Rodemich, Rumsey, and Welch).

High-dimensional Partial Differential Equations (PDEs) are a popular mathematical modelling tool, with applications ranging from finance to computational chemistry. However, standard numerical techniques for solving these PDEs are typically affected by the curse of dimensionality. In this work, we tackle this challenge while focusing on stationary diffusion equations defined over a high-dimensional domain with periodic boundary conditions. Inspired by recent progress in sparse function approximation in high dimensions, we propose a new method called compressive Fourier collocation. Combining ideas from compressive sensing and spectral collocation, our method replaces the use of structured collocation grids with Monte Carlo sampling and employs sparse recovery techniques, such as orthogonal matching pursuit and $\ell^1$ minimization, to approximate the Fourier coefficients of the PDE solution. We conduct a rigorous theoretical analysis showing that the approximation error of the proposed method is comparable with the best $s$-term approximation (with respect to the Fourier basis) to the solution. Using the recently introduced framework of random sampling in bounded Riesz systems, our analysis shows that the compressive Fourier collocation method mitigates the curse of dimensionality with respect to the number of collocation points under sufficient conditions on the regularity of the diffusion coefficient. We also present numerical experiments that illustrate the accuracy and stability of the method for the approximation of sparse and compressible solutions.

We study the problem of maximizing information divergence from a new perspective using logarithmic Voronoi polytopes. We show that for linear models, the maximum is always achieved at the boundary of the probability simplex. For toric models, we present an algorithm that combines the combinatorics of the chamber complex with numerical algebraic geometry. We pay special attention to reducible models and models of maximum likelihood degree one.

Widely used pipelines for the analysis of high-dimensional data utilize two-dimensional visualizations. These are created, e.g., via t-distributed stochastic neighbor embedding (t-SNE). When it comes to large data sets, applying these visualization techniques creates suboptimal embeddings, as the hyperparameters are not suitable for large data. Cranking up these parameters usually does not work as the computations become too expensive for practical workflows. In this paper, we argue that a sampling-based embedding approach can circumvent these problems. We show that hyperparameters must be chosen carefully, depending on the sampling rate and the intended final embedding. Further, we show how this approach speeds up the computation and increases the quality of the embeddings.

In recent years there has been increased use of machine learning (ML) techniques within mathematics, including symbolic computation where it may be applied safely to optimise or select algorithms. This paper explores whether using explainable AI (XAI) techniques on such ML models can offer new insight for symbolic computation, inspiring new implementations within computer algebra systems that do not directly call upon AI tools. We present a case study on the use of ML to select the variable ordering for cylindrical algebraic decomposition. It has already been demonstrated that ML can make the choice well, but here we show how the SHAP tool for explainability can be used to inform new heuristics of a size and complexity similar to those human-designed heuristics currently commonly used in symbolic computation.

NVIDIA Tensor Core is a mixed-precision matrix-matrix multiplication and addition computing unit, where the theoretical peak performance is more than 300 TFlop/s on NVIDIA A100 GPU. NVIDIA provides WMMA API for using Tensor Cores in custom kernel functions. The most common way to use Tensor Core is to supply the input matrices from shared memory, which has higher bandwidth than global memory. However, the Bytes-per-Flops (B/F) ratio of the shared memory and Tensor Cores is small since the performance of Tensor Cores is high. Thus, it is important to reduce the shared memory footprint for efficient Tensor Cores usage. In this paper, we analyze the simple matrix-matrix multiplication on Tensor Cores by the roofline model and figure out that the bandwidth of shared memory might be a limitation of the performance when using WMMA API. To alleviate this issue, we provide a WMMA API extension library to boost the throughput of the computation, which has two components. The first one allows for manipulating the array of registers input to Tensor Cores flexibly. We evaluate the performance improvement of this library. The outcome of our evaluation shows that our library reduces the shared memory footprint and speeds up the computation using Tensor Cores. The second one is an API for the SGEMM emulation on Tensor Cores without additional shared memory usage. We have demonstrated that the single-precision emulating batch SGEMM implementation on Tensor Cores using this library achieves 54.2 TFlop/s on A100 GPU, which outperforms the theoretical peak performance of FP32 SIMT Cores while achieving the same level of accuracy as cuBLAS. The achieved throughput can not be achieved without reducing the shared memory footprint done by our library with the same amount of register usage.

Introduction: Oblique Target-rotation in the context of exploratory factor analysis is a relevant method for the investigation of the oblique independent clusters model. It was argued that minimizing single cross-loadings by means of target rotation may lead to large effects of sampling error on the target rotated factor solutions. Method: In order to minimize effects of sampling error on results of Target-rotation we propose to compute the mean cross-loadings for each block of salient loadings of the independent clusters model and to perform target rotation for the block-wise mean cross-loadings. The resulting transformation-matrix is than applied to the complete unrotated loading matrix in order to produce mean Target-rotated factors. Results: A simulation study based on correlated independent factor models revealed that mean oblique Target-rotation resulted in smaller negative bias of factor inter-correlations than conventional Target-rotation based on single loadings, especially when sample size was small and when the number of factors was large. An empirical example revealed that the similarity of Target-rotated factors computed for small subsamples with Target-rotated factors of the total sample was more pronounced for mean Target-rotation than for conventional Target-rotation. Discussion: Mean Target-rotation can be recommended in the context of oblique independent factor models, especially for small samples. An R-script and an SPSS-script for this form of Target-rotation are provided in the Appendix.

We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, Princeton ModelNet40, and NVIDIA Dynamic Hand Gesture.

Hashing has been widely used in approximate nearest search for large-scale database retrieval for its computation and storage efficiency. Deep hashing, which devises convolutional neural network architecture to exploit and extract the semantic information or feature of images, has received increasing attention recently. In this survey, several deep supervised hashing methods for image retrieval are evaluated and I conclude three main different directions for deep supervised hashing methods. Several comments are made at the end. Moreover, to break through the bottleneck of the existing hashing methods, I propose a Shadow Recurrent Hashing(SRH) method as a try. Specifically, I devise a CNN architecture to extract the semantic features of images and design a loss function to encourage similar images projected close. To this end, I propose a concept: shadow of the CNN output. During optimization process, the CNN output and its shadow are guiding each other so as to achieve the optimal solution as much as possible. Several experiments on dataset CIFAR-10 show the satisfying performance of SRH.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.

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