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There are numerous types of programming languages developed in the last decades, and most of them provide interface to call C++ or C for high efficiency implementation. The motivation of Svar is to design an efficient, light-weighted and general midd le-ware for multiple languages, meanwhile, brings the dynamism features from script language to C++ in a straightforward way. Firstly, a Svar class with JSON like data structure is designed to hold everything exists in C++, including basic values, functions or user defined classes and objects. Secondly, arguments are auto cast to and from Svar efficiently with compile time pointers, references and shared_ptr detection. Thirdly, classes and functions are binded with string names to support reflection, this means all functions and classes in a shared library can be exported to a Svar object, which also calls a Svar module. The Svar modules can be accessed by different languages and this paper demonstrates how to import and use a Svar module in Python and Node.js. Moreover, the Svar modules or even a python module can also be imported by C++ at runtime, which makes C++ easier to compile and use since headers are not required anymore. We compare the performance of Svar with two state-of-the-art binding tool for Python and Node.js, and the result demonstrates that Svar is efficient, elegant and general. The core of this project is one single tiny modern C++ header with less than 5000 lines code without extra dependency. To help developers using Svar, all the source codes related are public available on http://github.com/zdzhaoyong/Svar, including documentations and benchmarks.
Let $mathbb{F}_q$ be the finite field of $q=p^mequiv 1pmod 4$ elements with $p$ being an odd prime and $m$ being a positive integer. For $c, y inmathbb{F}_q$ with $yinmathbb{F}_q^*$ non-quartic, let $N_n(c)$ and $M_n(y)$ be the numbers of zeros of $x _1^4+...+x_n^4=c$ and $x_1^4+...+x_{n-1}^4+yx_n^4=0$, respectively. In 1979, Myerson used Gauss sum and exponential sum to show that the generating function $sum_{n=1}^{infty}N_n(0)x^n$ is a rational function in $x$ and presented its explicit expression. In this paper, we make use of the cyclotomic theory and exponential sums to show that the generating functions $sum_{n=1}^{infty}N_n(c)x^n$ and $sum_{n=1}^{infty}M_{n+1}(y)x^n$ are rational functions in $x$. We also obtain the explicit expressions of these generating functions. Our result extends Myersons theorem gotten in 1979.
This work presents a lattice quantum chromodynamics (QCD) calculation of the nonperturbative Collins-Soper kernel, which describes the rapidity evolution of quark transverse-momentum-dependent parton distribution functions. The kernel is extracted at transverse momentum scales in the range 400 MeV $< q_T < 1.7$ GeV in a calculation with dynamical fermions and quark masses corresponding to a larger-than-physical pion mass, $m_pi=538(1)$ MeV. It is found that different approaches to extract the Collins-Soper kernel from the same underlying lattice QCD matrix elements yield significantly different results and uncertainty estimates, revealing that power corrections, such as those associated with higher-twist effects, and perturbative matching between quasi and light-cone beam functions, cannot be neglected.
Let $f(x)inmathbb{Z}[x]$ be a nonconstant polynomial. Let $n, k$ and $c$ be integers such that $nge 1$ and $kge 2$. An integer $a$ is called an $f$-exunit in the ring $mathbb{Z}_n$ of residue classes modulo $n$ if $gcd(f(a),n)=1$. In this paper, we u se the principle of cross-classification to derive an explicit formula for the number ${mathcal N}_{k,f,c}(n)$ of solutions $(x_1,...,x_k)$ of the congruence $x_1+...+x_kequiv cpmod n$ with all $x_i$ being $f$-exunits in the ring $mathbb{Z}_n$. This extends a recent result of Anand {it et al.} [On a question of $f$-exunits in $mathbb{Z}/{nmathbb{Z}}$, {it Arch. Math. (Basel)} {bf 116} (2021), 403-409]. We derive a more explicit formula for ${mathcal N}_{k,f,c}(n)$ when $f(x)$ is linear or quadratic.
High-throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its effectiveness is severely limited by the lack of quantity and diversity of known materials deposited in the current materia ls repositories such as ICSD and OQMD. Recent progress in machine learning and especially deep learning have enabled a generative strategy that learns implicit chemical rules for creating chemically valid hypothetical materials with new compositions and structures. However, current materials generative models have difficulty in generating structurally diverse, chemically valid, and stable materials. Here we propose CubicGAN, a generative adversarial network (GAN) based deep neural network model for large scale generation of novel cubic crystal structures. When trained on 375,749 ternary crystal materials from the OQMD database, we show that our model is able to not only rediscover most of the currently known cubic materials but also generate hypothetical materials of new structure prototypes. A total of 506 such new materials (all of them are either ternary or quarternary) have been verified by DFT based phonon dispersion stability check, several of which have been found to potentially have exceptional functional properties. Considering the importance of cubic materials in wide applications such as solar cells and lithium batteries, our GAN model provides a promising approach to significantly expand the current repository of materials, enabling the discovery of new functional materials via screening. The new crystal structures finally verified by DFT are freely accessible at our Carolina Materials Database http://www.carolinamatdb.org.
139 - Jianjun Hu , Yong Zhao , Yuqi Song 2021
Crystal structure prediction is one of the major unsolved problems in materials science. Traditionally, this problem is formulated as a global optimization problem for which global search algorithms are combined with first principle free energy calcu lations to predict the ground-state crystal structure given only a material composition or a chemical system. These ab initio algorithms usually cannot exploit a large amount of implicit physicochemical rules or geometric constraints (deep knowledge) of atom configurations embodied in a large number of known crystal structures. Inspired by the deep learning enabled breakthrough in protein structure prediction, herein we propose AlphaCrystal, a crystal structure prediction algorithm that combines a deep residual neural network model that learns deep knowledge to guide predicting the atomic contact map of a target crystal material followed by reconstructing its 3D crystal structure using genetic algorithms. Based on the experiments of a selected set of benchmark crystal materials, we show that our AlphaCrystal algorithm can predict structures close to the ground truth structures. It can also speed up the crystal structure prediction process by predicting and exploiting the predicted contact map so that it has the potential to handle relatively large systems. We believe that our deep learning based ab initio crystal structure prediction method that learns from existing material structures can be used to scale up current crystal structure prediction practice. To our knowledge, AlphaCrystal is the first neural network based algorithm for crystal structure contact map prediction and the first method for directly reconstructing crystal structures from materials composition, which can be further optimized by DFT calculations.
Reverse-engineering bar charts extracts textual and numeric information from the visual representations of bar charts to support application scenarios that require the underlying information. In this paper, we propose a neural network-based method fo r reverse-engineering bar charts. We adopt a neural network-based object detection model to simultaneously localize and classify textual information. This approach improves the efficiency of textual information extraction. We design an encoder-decoder framework that integrates convolutional and recurrent neural networks to extract numeric information. We further introduce an attention mechanism into the framework to achieve high accuracy and robustness. Synthetic and real-world datasets are used to evaluate the effectiveness of the method. To the best of our knowledge, this work takes the lead in constructing a complete neural network-based method of reverse-engineering bar charts.
260 - Tianyan Zhou , Yong Zhao , Jian Wu 2020
The ResNet-based architecture has been widely adopted to extract speaker embeddings for text-independent speaker verification systems. By introducing the residual connections to the CNN and standardizing the residual blocks, the ResNet structure is c apable of training deep networks to achieve highly competitive recognition performance. However, when the input feature space becomes more complicated, simply increasing the depth and width of the ResNet network may not fully realize its performance potential. In this paper, we present two extensions of the ResNet architecture, ResNeXt and Res2Net, for speaker verification. Originally proposed for image recognition, the ResNeXt and Res2Net introduce two more dimensions, cardinality and scale, in addition to depth and width, to improve the models representation capacity. By increasing the scale dimension, the Res2Net model can represent multi-scale features with various granularities, which particularly facilitates speaker verification for short utterances. We evaluate our proposed systems on three speaker verification tasks. Experiments on the VoxCeleb test set demonstrated that the ResNeXt and Res2Net can significantly outperform the conventional ResNet model. The Res2Net model achieved superior performance by reducing the EER by 18.5% relative. Experiments on the other two internal test sets of mismatched conditions further confirmed the generalization of the ResNeXt and Res2Net architectures against noisy environment and segment length variations.
Motivated by the desire to understand the nucleon mass structure in terms of light-cone distributions, we introduce the twist-four parton distribution function $F(x)$ whose first moment is the gluon condensate in the nucleon. We present the equation of motion relations for $F(x)$ and discuss the possible existence of the delta function (`zero mode) contribution at $x=0$. We also perform one-loop calculations for quark and gluon targets.
The Collins-Soper kernel relates transverse momentum-dependent parton distribution functions (TMDPDFs) at different energy scales. For small parton transverse momentum $q_Tsim Lambda_text{QCD}$, this kernel is non-perturbative and can only be determi ned with controlled uncertainties through experiment or first-principles calculations. This work presents the first exploratory determination of the Collins-Soper kernel using the lattice formulation of Quantum Chromodynamics. In a quenched calculation, the $N_f=0$ kernel is determined at scales in the range 250 MeV $< q_T < 2$ GeV, and an analysis of the remaining systematic uncertainties is undertaken.
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