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HyperNetX: A Python package for modeling complex network data as hypergraphs HyperNetX:一个Python包,用于将复杂网络数据建模为超图
Pub Date : 2023-10-17 DOI: arxiv-2310.11626
Brenda Praggastis, Sinan Aksoy, Dustin Arendt, Mark Bonicillo, Cliff Joslyn, Emilie Purvine, Madelyn Shapiro, Ji Young Yun
HyperNetX (HNX) is an open source Python library for the analysis andvisualization of complex network data modeled as hypergraphs. Initiallyreleased in 2019, HNX facilitates exploratory data analysis of complex networksusing algebraic topology, combinatorics, and generalized hypergraph and graphtheoretical methods on structured data inputs. With its 2023 release, thelibrary supports attaching metadata, numerical and categorical, to nodes(vertices) and hyperedges, as well as to node-hyperedge pairings (incidences).HNX has a customizable Matplotlib-based visualization module as well asHypernetX-Widget, its JavaScript addon for interactive exploration andvisualization of hypergraphs within Jupyter Notebooks. Both packages areavailable on GitHub and PyPI. With a growing community of users andcollaborators, HNX has become a preeminent tool for hypergraph analysis.
HyperNetX (HNX)是一个开源的Python库,用于分析和可视化建模为超图的复杂网络数据。HNX最初于2019年发布,使用代数拓扑、组合学、广义超图和图论方法对结构化数据输入进行复杂网络的探索性数据分析。随着2023年的发布,该库支持将元数据(数值和分类)附加到节点(顶点)和超边缘,以及节点-超边缘配对(发生率)。HNX有一个可定制的基于matplotlib的可视化模块,以及hypernetx - widget,它的JavaScript插件用于在Jupyter notebook中进行超图的交互式探索和可视化。这两个包都可以在GitHub和PyPI上获得。随着用户和合作者社区的不断壮大,HNX已经成为超图分析的卓越工具。
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引用次数: 0
A Number Representation Systems Library Supporting New Representations Based on Morris Tapered Floating-point with Hidden Exponent Bit 支持基于隐含指数位的Morris锥形浮点数新表示的数字表示系统库
Pub Date : 2023-10-15 DOI: arxiv-2310.09797
Stefan-Dan Ciocirlan, Dumitrel Loghin
The introduction of posit reopened the debate about the utility of IEEE754 inspecific domains. In this context, we propose a high-level language (Scala)library that aims to reduce the effort of designing and testing new numberrepresentation systems (NRSs). The library's efficiency is tested with threenew NRSs derived from Morris Tapered Floating-Point by adding a hidden exponentbit. We call these NRSs MorrisHEB, MorrisBiasHEB, and MorrisUnaryHEB,respectively. We show that they offer a better dynamic range, better decimalaccuracy for unary operations, more exact results for addition (37.61% in thecase of MorrisUnaryHEB), and better average decimal accuracy for inexactresults on binary operations than posit and IEEE754. Going through existingbenchmarks in the literature, and favorable/unfavorable examples forIEEE754/posit, we show that these new NRSs produce similar (less than onedecimal accuracy difference) or even better results than IEEE754 and posit.Given the entire spectrum of results, there are arguments for MorrisBiasHEB tobe used as a replacement for IEEE754 in general computations. MorrisUnaryHEBhas a more populated ``golden zone'' (+13.6%) and a better dynamic range (149X)than posit, making it a candidate for machine learning computations.
posit的引入重新开启了关于IEEE754非特定域的实用性的争论。在这种情况下,我们提出了一个高级语言(Scala)库,旨在减少设计和测试新的数字表示系统(NRSs)的工作量。通过添加一个隐藏的指数位,从Morris锥形浮点派生出三个新的NRSs,测试了该库的效率。我们分别称这些nrs为MorrisHEB、MorrisBiasHEB和MorrisUnaryHEB。我们表明,它们提供了更好的动态范围,一元操作的更好的小数精度,更精确的加法结果(在MorrisUnaryHEB的情况下为37.61%),以及比正数和IEEE754更好的二进制操作的不精确结果的平均十进制精度。通过文献中的现有基准,以及IEEE754/posit的有利/不利示例,我们表明这些新的NRSs产生与IEEE754和posit相似(小于一个十进制的精度差异)甚至更好的结果。考虑到整个结果范围,在一般计算中使用MorrisBiasHEB作为IEEE754的替代品存在争议。morrisunaryheba拥有比posit更多的“黄金地带”(+13.6%)和更好的动态范围(149X),使其成为机器学习计算的候选对象。
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引用次数: 0
Algorithm xxxx: HiPPIS A High-Order Positivity-Preserving Mapping Software for Structured Meshes 算法xxxx: HiPPIS一种结构化网格高阶保正映射软件
Pub Date : 2023-10-13 DOI: arxiv-2310.08818
Timbwaoga A. J. Ouermi, Robert M Kirby, Martin Berzins
Polynomial interpolation is an important component of many computationalproblems. In several of these computational problems, failure to preservepositivity when using polynomials to approximate or map data values betweenmeshes can lead to negative unphysical quantities. Currently, mostpolynomial-based methods for enforcing positivity are based on splines andpolynomial rescaling. The spline-based approaches build interpolants that arepositive over the intervals in which they are defined and may require solving aminimization problem and/or system of equations. The linear polynomialrescaling methods allow for high-degree polynomials but enforce positivity onlyat limited locations (e.g., quadrature nodes). This work introduces open-sourcesoftware (HiPPIS) for high-order data-bounded interpolation (DBI) andpositivity-preserving interpolation (PPI) that addresses the limitations ofboth the spline and polynomial rescaling methods. HiPPIS is suitable forapproximating and mapping physical quantities such as mass, density, andconcentration between meshes while preserving positivity. This work providesFortran and Matlab implementations of the DBI and PPI methods, presents ananalysis of the mapping error in the context of PDEs, and uses several 1D and2D numerical examples to demonstrate the benefits and limitations of HiPPIS.
多项式插值是许多计算问题的重要组成部分。在这些计算问题中,当使用多项式来近似或映射网格之间的数据值时,不能保持正性可能导致负的非物理量。目前,大多数基于多项式的增强正性的方法是基于样条和多项式的重新缩放。基于样条的方法构建的插值在其定义的区间内为正,可能需要解决最小化问题和/或方程组。线性多项式重标方法允许高阶多项式,但只在有限的位置(例如,正交节点)执行正性。这项工作引入了用于高阶数据有界插值(DBI)和保正插值(PPI)的开源软件(HiPPIS),解决了样条和多项式重新缩放方法的局限性。HiPPIS适用于在保持正能量的同时近似和映射网格之间的物理量,如质量、密度和浓度。这项工作提供了DBI和PPI方法的fortran和Matlab实现,给出了pde环境下的映射误差分析,并使用几个1D和2d数值示例来演示hipi的优点和局限性。
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引用次数: 0
A Generic Software Framework for Distributed Topological Analysis Pipelines 分布式拓扑分析管道的通用软件框架
Pub Date : 2023-10-12 DOI: arxiv-2310.08339
Eve Le Guillou, Michael Will, Pierre Guillou, Jonas Lukasczyk, Pierre Fortin, Christoph Garth, Julien Tierny
This system paper presents a software framework for the support oftopological analysis pipelines in a distributed-memory model. While severalrecent papers introduced topology-based approaches for distributed-memoryenvironments, these were reporting experiments obtained with tailored,mono-algorithm implementations. In contrast, we describe in this paper ageneral-purpose, generic framework for topological analysis pipelines, i.e. asequence of topological algorithms interacting together, possibly on distinctnumbers of processes. Specifically, we instantiated our framework with the MPImodel, within the Topology ToolKit (TTK). While developing this framework, wefaced several algorithmic and software engineering challenges, which wedocument in this paper. We provide a taxonomy for the distributed-memorytopological algorithms supported by TTK, depending on their communication needsand provide examples of hybrid MPI+thread parallelizations. Detailedperformance analyses show that parallel efficiencies range from $20%$ to$80%$ (depending on the algorithms), and that the MPI-specific preconditioningintroduced by our framework induces a negligible computation time overhead. Weillustrate the new distributed-memory capabilities of TTK with an example ofadvanced analysis pipeline, combining multiple algorithms, run on the largestpublicly available dataset we have found (120 billion vertices) on a standardcluster with 64 nodes (for a total of 1,536 cores). Finally, we provide aroadmap for the completion of TTK's MPI extension, along with genericrecommendations for each algorithm communication category.
本文提出了一个支持分布式存储模型中拓扑分析管道的软件框架。虽然最近有几篇论文介绍了用于分布式内存环境的基于拓扑的方法,但这些都是通过定制的单算法实现获得的实验报告。相比之下,我们在本文中描述了拓扑分析管道的通用框架,即拓扑算法的序列相互作用,可能在不同数量的过程上。具体来说,我们在拓扑工具包(TTK)中使用mpi模型实例化了我们的框架。在开发这个框架的过程中,我们面临了几个算法和软件工程方面的挑战,我们在本文中对此进行了记录。我们根据TTK支持的分布式内存拓扑算法的通信需求对其进行了分类,并提供了MPI+线程并行的混合示例。详细的性能分析表明,并行效率范围从$ 20% $到$ 80% $(取决于算法),并且我们的框架引入的mpi特定的预处理导致了可以忽略不计的计算时间开销。我们用一个高级分析管道的例子来说明TTK的新的分布式内存能力,结合多种算法,在我们发现的最大的公开可用数据集(1200亿个顶点)上运行,在一个标准集群上有64个节点(总共1536个核心)。最后,我们提供了完成TTK的MPI扩展的路线图,以及每个算法通信类别的通用建议。
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引用次数: 0
Smoothing Methods for Automatic Differentiation Across Conditional Branches 条件分支间自动微分的平滑方法
Pub Date : 2023-10-05 DOI: arxiv-2310.03585
Justin N. Kreikemeyer, Philipp Andelfinger
Programs involving discontinuities introduced by control flow constructs suchas conditional branches pose challenges to mathematical optimization methodsthat assume a degree of smoothness in the objective function's responsesurface. Smooth interpretation (SI) is a form of abstract interpretation thatapproximates the convolution of a program's output with a Gaussian kernel, thussmoothing its output in a principled manner. Here, we combine SI with automaticdifferentiation (AD) to efficiently compute gradients of smoothed programs. Incontrast to AD across a regular program execution, these gradients also capturethe effects of alternative control flow paths. The combination of SI with ADenables the direct gradient-based parameter synthesis for branching programs,allowing for instance the calibration of simulation models or their combinationwith neural network models in machine learning pipelines. We detail the effectsof the approximations made for tractability in SI and propose a novel MonteCarlo estimator that avoids the underlying assumptions by estimating thesmoothed programs' gradients through a combination of AD and sampling. UsingDiscoGrad, our tool for automatically translating simple C++ programs to asmooth differentiable form, we perform an extensive evaluation. We compare thecombination of SI with AD and our Monte Carlo estimator to existinggradient-free and stochastic methods on four non-trivial and originallydiscontinuous problems ranging from classical simulation-based optimization toneural network-driven control. While the optimization progress with theSI-based estimator depends on the complexity of the programs' control flow, ourMonte Carlo estimator is competitive in all problems, exhibiting the fastestconvergence by a substantial margin in our highest-dimensional problem.
涉及由控制流构造(如条件分支)引入的不连续的程序对数学优化方法提出了挑战,这些方法假设目标函数的响应面具有一定程度的平滑性。平滑解释(SI)是一种抽象解释形式,它近似于程序输出与高斯核的卷积,从而以一种有原则的方式平滑其输出。在这里,我们将SI与自动微分(AD)相结合,以有效地计算平滑程序的梯度。与常规程序执行中的AD相比,这些梯度还捕获了可选控制流路径的影响。SI与ad的结合使分支程序能够直接基于梯度的参数合成,例如允许模拟模型的校准或与机器学习管道中的神经网络模型的组合。我们详细介绍了SI中可追溯性近似的影响,并提出了一种新的蒙特卡罗估计器,该估计器通过AD和采样的组合估计平滑程序的梯度,从而避免了潜在的假设。使用我们自动将简单的c++程序转换为光滑可微形式的工具discograd,我们进行了广泛的评估。我们比较了SI与AD的组合和我们的蒙特卡罗估计与现有的无梯度和随机方法在四个非平凡和原始不连续问题上的组合,从经典的基于仿真的优化到神经网络驱动的控制。虽然基于thesi的估计器的优化进度取决于程序控制流的复杂性,但我们的蒙特卡罗估计器在所有问题中都具有竞争力,在我们的最高维问题中表现出最快的收敛速度。
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引用次数: 0
A directional regularization method for the limited-angle Helsinki Tomography Challenge using the Core Imaging Library (CIL) 基于核心成像库(CIL)的有限角度赫尔辛基层析成像挑战的方向正则化方法
Pub Date : 2023-10-02 DOI: arxiv-2310.01671
Jakob Sauer Jørgensen, Evangelos Papoutsellis, Laura Murgatroyd, Gemma Fardell, Edoardo Pasca
This article presents the algorithms developed by the Core Imaging Library(CIL) developer team for the Helsinki Tomography Challenge 2022. The challengefocused on reconstructing 2D phantom shapes from limited-angle computedtomography (CT) data. The CIL team designed and implemented five reconstructionmethods using CIL (https://ccpi.ac.uk/cil/), an open-source Python package fortomographic imaging. The CIL team adopted a model-based reconstructionstrategy, unique to this challenge with all other teams relying ondeep-learning techniques. The CIL algorithms showcased exceptional performance,with one algorithm securing the third place in the competition. Thebest-performing algorithm employed careful CT data pre-processing and anoptimization problem with single-sided directional total variationregularization combined with isotropic total variation and tailored lower andupper bounds. The reconstructions and segmentations achieved high quality fordata with angular ranges down to 50 degrees, and in some cases acceptableperformance even at 40 and 30 degrees. This study highlights the effectivenessof model-based approaches in limited-angle tomography and emphasizes theimportance of proper algorithmic design leveraging on available prior knowledgeto overcome data limitations. Finally, this study highlights the flexibility ofCIL for prototyping and comparison of different optimization methods.
本文介绍了核心成像库(CIL)开发团队为2022年赫尔辛基断层扫描挑战赛开发的算法。挑战集中在从有限角度计算机断层扫描(CT)数据重建2D幻像形状。CIL团队使用CIL (https://ccpi.ac.uk/cil/)设计并实现了五种重建方法,CIL是一个用于断层成像的开源Python包。CIL团队采用了基于模型的重建策略,与其他所有依赖深度学习技术的团队相比,这是独一无二的。CIL算法表现出色,其中一种算法在比赛中获得了第三名。性能最好的算法采用仔细的CT数据预处理和单侧定向总变分的优化问题、各向同性总变分的正则化和定制的上下边界。对于角度范围低至50度的数据,重建和分割实现了高质量,在某些情况下,甚至在40度和30度的情况下也具有可接受的性能。本研究强调了基于模型的方法在有限角度断层扫描中的有效性,并强调了利用现有先验知识来克服数据限制的适当算法设计的重要性。最后,本研究强调了cil在原型设计和不同优化方法比较方面的灵活性。
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引用次数: 0
CausalGPS: An R Package for Causal Inference With Continuous Exposures CausalGPS:一个用于连续曝光因果推理的R包
Pub Date : 2023-10-01 DOI: arxiv-2310.00561
Naeem Khoshnevis, Xiao Wu, Danielle Braun
Quantifying the causal effects of continuous exposures on outcomes ofinterest is critical for social, economic, health, and medical research.However, most existing software packages focus on binary exposures. We developthe CausalGPS R package that implements a collection of algorithms to providealgorithmic solutions for causal inference with continuous exposures. CausalGPSimplements a causal inference workflow, with algorithms based on generalizedpropensity scores (GPS) as the core, extending propensity scores (theprobability of a unit being exposed given pre-exposure covariates) from binaryto continuous exposures. As the first step, the package implements efficientand flexible estimations of the GPS, allowing multiple user-specified modelingoptions. As the second step, the package provides two ways to adjust forconfounding: weighting and matching, generating weighted and matched data sets,respectively. Lastly, the package provides built-in functions to fit flexibleparametric, semi-parametric, or non-parametric regression models on theweighted or matched data to estimate the exposure-response function relatingthe outcome with the exposures. The computationally intensive tasks areimplemented in C++, and efficient shared-memory parallelization is achieved byOpenMP API. This paper outlines the main components of the CausalGPS R packageand demonstrates its application to assess the effect of long-term exposure toPM2.5 on educational attainment using zip code-level data from the contiguousUnited States from 2000-2016.
对于社会、经济、健康和医学研究而言,量化持续暴露对相关结果的因果影响至关重要。然而,大多数现有的软件包都侧重于二进制曝光。我们开发了CausalGPS R包,它实现了一系列算法,为连续曝光的因果推理提供算法解决方案。causalgp简化了一个因果推理工作流,以基于广义倾向分数(GPS)的算法为核心,将倾向分数(给定暴露前协变量的单位暴露的概率)从二元暴露扩展到连续暴露。作为第一步,该包实现了GPS的有效和灵活的估计,允许多个用户指定的建模选项。第二步,该包提供了两种方法来调整混淆:加权和匹配,分别生成加权和匹配的数据集。最后,该软件包提供了内置函数来拟合加权或匹配数据上的灵活参数,半参数或非参数回归模型,以估计与暴露结果相关的暴露-响应函数。计算密集型任务用c++语言实现,并通过openmp API实现高效的共享内存并行化。本文概述了CausalGPS R包的主要组成部分,并利用2000-2016年美国邻近地区的邮政编码级别数据,展示了其在评估长期暴露于toPM2.5对教育成就的影响方面的应用。
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引用次数: 0
Asymptote-based scientific animation 基于渐近线的科学动画
Pub Date : 2023-09-30 DOI: arxiv-2310.06860
Migran N. Gevorkyan, Anna V. Korolkova, Dmitry S. Kulyabov
This article discusses a universal way to create animation using Asymptotethe language for vector graphics. The Asymptote language itself has a built-inlibrary for creating animations, but its practical use is complicated by anextremely brief description in the official documentation and unstableexecution of existing examples. The purpose of this article is to eliminatethis gap. The method we describe is based on creating a PDF file with framesusing Asymptote, with further converting it into a set of PNG images andmerging them into a video using FFmpeg. All stages are described in detail,which allows the reader to use the described method without being familiar withthe used utilities.
本文讨论了一种使用渐近线语言创建矢量图形动画的通用方法。渐近线语言本身有一个用于创建动画的内置库,但其实际使用由于官方文档中极其简短的描述和现有示例的不稳定执行而变得复杂。本文的目的就是消除这种差距。我们描述的方法是基于使用渐近线创建带有帧的PDF文件,进一步将其转换为一组PNG图像,并使用FFmpeg将它们合并到视频中。所有阶段都进行了详细的描述,这允许读者在不熟悉所使用的实用程序的情况下使用所描述的方法。
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引用次数: 0
Implicit Gaussian process representation of vector fields over arbitrary latent manifolds 任意潜流形上向量场的隐式高斯过程表示
Pub Date : 2023-09-28 DOI: arxiv-2309.16746
Robert L. Peach, Matteo Vinao-Carl, Nir Grossman, Michael David, Emma Mallas, David Sharp, Paresh A. Malhotra, Pierre Vandergheynst, Adam Gosztolai
Gaussian processes (GPs) are popular nonparametric statistical models forlearning unknown functions and quantifying the spatiotemporal uncertainty indata. Recent works have extended GPs to model scalar and vector quantitiesdistributed over non-Euclidean domains, including smooth manifolds appearing innumerous fields such as computer vision, dynamical systems, and neuroscience.However, these approaches assume that the manifold underlying the data isknown, limiting their practical utility. We introduce RVGP, a generalisation ofGPs for learning vector signals over latent Riemannian manifolds. Our methoduses positional encoding with eigenfunctions of the connection Laplacian,associated with the tangent bundle, readily derived from common graph-basedapproximation of data. We demonstrate that RVGP possesses global regularityover the manifold, which allows it to super-resolve and inpaint vector fieldswhile preserving singularities. Furthermore, we use RVGP to reconstructhigh-density neural dynamics derived from low-density EEG recordings in healthyindividuals and Alzheimer's patients. We show that vector field singularitiesare important disease markers and that their reconstruction leads to acomparable classification accuracy of disease states to high-densityrecordings. Thus, our method overcomes a significant practical limitation inexperimental and clinical applications.
高斯过程是学习未知函数和量化数据时空不确定性的常用非参数统计模型。最近的工作将GPs扩展到非欧几里得域上的标量和矢量模型,包括出现在计算机视觉、动力系统和神经科学等众多领域的光滑流形。然而,这些方法假设数据背后的流形是已知的,限制了它们的实际效用。我们引入了RVGP,一种用于学习潜在黎曼流形上向量信号的gp的推广。我们的方法使用连接拉普拉斯特征函数的位置编码,与切线束相关联,很容易从常见的基于图的数据近似中得到。我们证明了RVGP在流形上具有全局正则性,这使得它可以在保持奇异性的同时超分辨和绘制向量场。此外,我们使用RVGP重建来自健康个体和阿尔茨海默病患者低密度脑电图记录的大密度神经动力学。我们证明了向量场奇点是重要的疾病标记,并且它们的重建导致疾病状态的分类精度与高密度记录相当。因此,我们的方法在实验和临床应用中克服了一个重要的实际限制。
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引用次数: 0
Parallel local time stepping for rigid bodies represented by triangulated meshes 用三角网格表示刚体的平行局部时间步进
Pub Date : 2023-09-27 DOI: arxiv-2309.15417
Peter Noble, Tobias Weinzierl
Discrete Element Methods (DEM), i.e.~the simulation of many rigid particles,suffer from very stiff differential equations plus multiscale challenges inspace and time. The particles move smoothly through space until they interactalmost instantaneously due to collisions. Dense particle packings hence requiretiny time step sizes, while free particles can advance with large time steps.Admissible time step sizes can span multiple orders of magnitudes. We proposean adaptive local time stepping algorithm which identifies clusters ofparticles that can be updated independently, advances them optimistically andindependently in time, determines collision time stamps in space-time such thatwe maximise the time step sizes used, and resolves the momentum exchangeimplicitly. It is combined with various acceleration techniques which exploitmultiscale geometry representations and multiscale behaviour in time. Thecollision time stamp detection in space-time in combination with the implicitsolve of the actual collision equations avoids that particles get locked intotiny time step sizes, the clustering yields a high concurrency level, and theacceleration techniques plus local time stepping avoid unnecessarycomputations. This brings a scaling, adaptive time stepping for DEM forreal-world challenges into reach.
离散元方法(DEM),即对许多刚性粒子的模拟,受到非常僵硬的微分方程和空间和时间上的多尺度挑战的困扰。粒子在空间中平稳地移动,直到它们由于碰撞而瞬间发生相互作用。因此,密集的粒子填料需要很小的时间步长,而自由粒子可以以大的时间步长前进。允许的时间步长可以跨越多个数量级。我们提出了一种自适应局部时间步进算法,该算法识别可以独立更新的粒子簇,在时间上乐观独立地推进它们,在时空上确定碰撞时间戳,从而使我们使用的时间步长最大化,并隐式地解决动量交换。它结合了各种加速技术,这些技术利用了多尺度几何表示和多尺度行为。时空中的碰撞时间戳检测与实际碰撞方程的隐式求解相结合,避免了粒子被锁定在微小的时间步长中,聚类产生高并发水平,加速技术加上本地时间步长避免了不必要的计算。这为现实世界挑战的DEM带来了可缩放、自适应的时间步进。
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引用次数: 0
期刊
arXiv - CS - Mathematical Software
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