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mlscorecheck: Testing the consistency of reported performance scores and experiments in machine learning mlscorecheck:测试机器学习中报告的性能分数和实验的一致性
Pub Date : 2023-11-13 DOI: 10.48550/arxiv.2311.07541
Kovács, György, Fazekas, Attila
Addressing the reproducibility crisis in artificial intelligence through the validation of reported experimental results is a challenging task. It necessitates either the reimplementation of techniques or a meticulous assessment of papers for deviations from the scientific method and best statistical practices. To facilitate the validation of reported results, we have developed numerical techniques capable of identifying inconsistencies between reported performance scores and various experimental setups in machine learning problems, including binary/multiclass classification and regression. These consistency tests are integrated into the open-source package mlscorecheck, which also provides specific test bundles designed to detect systematically recurring flaws in various fields, such as retina image processing and synthetic minority oversampling.
通过验证报告的实验结果来解决人工智能中的可重复性危机是一项具有挑战性的任务。它需要重新实施技术或对论文进行细致的评估,以确定是否偏离科学方法和最佳统计实践。为了促进报告结果的验证,我们开发了能够识别机器学习问题中报告的性能分数与各种实验设置之间不一致的数值技术,包括二元/多类分类和回归。这些一致性测试被集成到开源包mlscorecheck中,该包还提供了专门的测试包,用于系统地检测各个领域中反复出现的缺陷,例如视网膜图像处理和合成少数派过采样。
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引用次数: 0
arfpy: A python package for density estimation and generative modeling with adversarial random forests arfpy:一个python包,用于密度估计和对抗随机森林的生成建模
Pub Date : 2023-11-13 DOI: 10.48550/arxiv.2311.07366
Blesch, Kristin, Wright, Marvin N.
This paper introduces $textit{arfpy}$, a python implementation of Adversarial Random Forests (ARF) (Watson et al., 2023), which is a lightweight procedure for synthesizing new data that resembles some given data. The software $textit{arfpy}$ equips practitioners with straightforward functionalities for both density estimation and generative modeling. The method is particularly useful for tabular data and its competitive performance is demonstrated in previous literature. As a major advantage over the mostly deep learning based alternatives, $textit{arfpy}$ combines the method's reduced requirements in tuning efforts and computational resources with a user-friendly python interface. This supplies audiences across scientific fields with software to generate data effortlessly.
本文介绍了$textit{arfpy}$,一个对抗随机森林(ARF)的python实现(Watson等人,2023),这是一个轻量级的过程,用于合成类似于某些给定数据的新数据。该软件$textit{arfpy}$为从业者提供了密度估计和生成建模的直接功能。该方法对表格数据特别有用,其竞争性能在以前的文献中得到了证明。与大多数基于深度学习的替代方案相比,$textit{arfpy}$的主要优势是将该方法在调优工作和计算资源方面的需求减少与用户友好的python界面相结合。这为跨科学领域的受众提供了轻松生成数据的软件。
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引用次数: 0
Unboxed data constructors -- or, how cpp decides a halting problem 未装箱的数据构造器——或者,cpp如何决定停止问题
Pub Date : 2023-11-13 DOI: 10.48550/arxiv.2311.07369
Chataing, Nicolas, Dolan, Stephen, Scherer, Gabriel, Yallop, Jeremy
We propose a new language feature for ML-family languages, the ability to selectively *unbox* certain data constructors, so that their runtime representation gets compiled away to just the identity on their argument. Unboxing must be statically rejected when it could introduce *confusions*, that is, distinct values with the same representation. We discuss the use-case of big numbers, where unboxing allows to write code that is both efficient and safe, replacing either a safe but slow version or a fast but unsafe version. We explain the static analysis necessary to reject incorrect unboxing requests. We present our prototype implementation of this feature for the OCaml programming language, discuss several design choices and the interaction with advanced features such as Guarded Algebraic Datatypes. Our static analysis requires expanding type definitions in type expressions, which is not necessarily normalizing in presence of recursive type definitions. In other words, we must decide normalization of terms in the first-order lambda-calculus with recursion. We provide an algorithm to detect non-termination on-the-fly during reduction, with proofs of correctness and completeness. Our termination-monitoring algorithm turns out to be closely related to the normalization strategy for macro expansion in the `cpp` preprocessor.
我们为ml家族语言提出了一个新的语言特性,即有选择地“拆箱”某些数据构造函数的能力,这样它们的运行时表示就会被编译为只有参数上的标识。当拆箱可能引入“混淆”(即具有相同表示的不同值)时,必须静态拒绝拆箱。我们讨论了大数的用例,其中拆箱允许编写既高效又安全的代码,替换安全但慢的版本或快速但不安全的版本。我们解释了拒绝不正确的开箱请求所必需的静态分析。我们展示了OCaml编程语言中此功能的原型实现,讨论了几种设计选择以及与高级功能(如守护代数数据类型)的交互。我们的静态分析需要在类型表达式中展开类型定义,在递归类型定义存在的情况下,这并不一定是规范化的。换句话说,我们必须决定一阶递归演算中各项的归一化。我们提供了一个算法来检测非终止在动态约简过程中,与正确性和完整性的证明。我们的终止监测算法与“cpp”预处理器中宏观展开的归一化策略密切相关。
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引用次数: 0
The Last Decade in Review: Tracing the Evolution of Safety Assurance Cases through a Comprehensive Bibliometric Analysis 回顾过去十年:通过综合文献计量分析追踪安全保障案例的演变
Pub Date : 2023-11-13 DOI: 10.48550/arxiv.2311.07495
Sivakumar, Mithila, Belle, Alvine Boaye, Shan, Jinjun, Adesina, Opeyemi, Wang, Song, Chechik, Marsha, Fokaefs, Marios, Shahandashti, Kimya Khakzad, Odu, Oluwafemi
Safety assurance is of paramount importance across various domains, including automotive, aerospace, and nuclear energy, where the reliability and acceptability of mission-critical systems are imperative. This assurance is effectively realized through the utilization of Safety Assurance Cases. The use of safety assurance cases allows for verifying the correctness of the created systems capabilities, preventing system failure. The latter may result in loss of life, severe injuries, large-scale environmental damage, property destruction, and major economic loss. Still, the emergence of complex technologies such as cyber-physical systems (CPSs), characterized by their heterogeneity, autonomy, machine learning capabilities, and the uncertainty of their operational environments poses significant challenges for safety assurance activities. Several papers have tried to propose solutions to tackle these challenges, but to the best of our knowledge, no secondary study investigates the trends, patterns, and relationships characterizing the safety case scientific literature. This makes it difficult to have a holistic view of the safety case landscape and to identify the most promising future research directions. In this paper, we, therefore, rely on state-of-the-art bibliometric tools(e.g., VosViewer) to conduct a bibliometric analysis that allows us to generate valuable insights, identify key authors and venues, and gain a birds eye view of the current state of research in the safety assurance area. By revealing knowledge gaps and highlighting potential avenues for future research, our analysis provides an essential foundation for researchers, corporate safety analysts, and regulators seeking to embrace or enhance safety practices that align with their specific needs and objectives.
安全保证在各个领域都是至关重要的,包括汽车、航空航天和核能,在这些领域,关键任务系统的可靠性和可接受性是必不可少的。通过安全保障案例的运用,有效地实现了安全保障。安全保证案例的使用允许验证所创建的系统功能的正确性,防止系统故障。后者可能造成生命损失、严重伤害、大规模环境破坏、财产破坏和重大经济损失。尽管如此,网络物理系统(cps)等复杂技术的出现,以其异质性、自主性、机器学习能力和操作环境的不确定性为特征,给安全保障活动带来了重大挑战。一些论文试图提出解决这些挑战的解决方案,但据我们所知,没有二次研究调查安全案例科学文献的趋势、模式和关系。这使得很难对安全案例景观有一个整体的看法,并确定最有希望的未来研究方向。因此,在本文中,我们依赖于最先进的文献计量工具(例如。(VosViewer)进行文献计量分析,使我们能够产生有价值的见解,确定关键作者和地点,并获得安全保障领域研究现状的鸟瞰图。通过揭示知识差距和强调未来研究的潜在途径,我们的分析为研究人员、企业安全分析师和监管机构寻求接受或加强符合其特定需求和目标的安全实践提供了重要的基础。
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引用次数: 0
Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation 非平衡电子-声子动力学的动态模式分解:第一性原理实时玻尔兹曼方程的加速
Pub Date : 2023-11-13 DOI: 10.48550/arxiv.2311.07520
Maliyov, Ivan, Yin, Jia, Yao, Jia, Yang, Chao, Bernardi, Marco
Nonequilibrium dynamics governed by electron-phonon (e-ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials. The real-time Boltzmann transport equation (rt-BTE) with collision processes computed from first principles can describe the coupled dynamics of electrons and atomic vibrations (phonons). Yet, a bottleneck of these simulations is the calculation of e-ph scattering integrals on dense momentum grids at each time step. Here we show a data-driven approach based on dynamic mode decomposition (DMD) that can accelerate the time propagation of the rt-BTE and identify dominant electronic processes. We apply this approach to two case studies, high-field charge transport and ultrafast excited electron relaxation. In both cases, simulating only a short time window of ~10% of the dynamics suffices to predict the dynamics from initial excitation to steady state using DMD extrapolation. Analysis of the momentum-space modes extracted from DMD sheds light on the microscopic mechanisms governing electron relaxation to steady state or equilibrium. The combination of accuracy and efficiency makes our DMD-based method a valuable tool for investigating ultrafast dynamics in a wide range of materials.
由电子-声子(e-ph)相互作用控制的非平衡动力学在电子器件和光谱中起着关键作用,是理解材料中电子激发的核心。基于第一性原理计算的具有碰撞过程的实时玻尔兹曼输运方程(rt-BTE)可以描述电子和原子振动(声子)的耦合动力学。然而,这些模拟的瓶颈是在每个时间步长上计算密集动量网格上的e-ph散射积分。在这里,我们展示了一种基于动态模态分解(DMD)的数据驱动方法,该方法可以加速rt-BTE的时间传播并识别主导电子过程。我们将此方法应用于两个案例研究,高场电荷输运和超快激发电子弛豫。在这两种情况下,仅模拟~10%的动力学短时间窗口就足以使用DMD外推法预测从初始激励到稳态的动力学。从DMD中提取的动量空间模式的分析揭示了控制电子弛豫到稳态或平衡态的微观机制。准确性和效率的结合使我们基于dmd的方法成为研究各种材料超快动力学的有价值的工具。
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引用次数: 0
A novel phenomenological approach to total charm cross section measurements at the LHC 在大型强子对撞机上测量总粲数截面的一种新的现象学方法
Pub Date : 2023-11-13 DOI: 10.48550/arxiv.2311.07523
Yang, Yewon, Geiser, Achim
Measuring the total charm cross section is important for the comparison to theoretical predictions of the highest precision available for charm today, which are completely known up to NNLO QCD for the total inclusive cross sections. These are also independent of charm fragmentation, while practical measurements of charm hadrons in a fiducial phase space are not. Recently the LHC experiments have reported non-universality of charm fragmentation, which shows that e.g. charm baryon-to-meson ratios are not universal in different collision systems, and that the related production fractions also depend on transverse momentum. This breaks the charm fragmentation universality that was assumed until recently for the extrapolation of experimental measurements to the full total charm cross section phase space. A proposal is made how to address this non-universality in a data driven way without the need to implement any particular non-universal fragmentation model. As a practical example, this method is applied to the extrapolation of published LHC measurements of $D^0$ production at $sqrt{s}=5$ TeV to the corresponding total charm cross section, which fully accounts for charm fragmentation non-universality for the first time. The result, $8.43 ^{+1.05}_{-1.16}(text{total})$ mb, differs substantially from the one assuming charm fragmentation universality, but still compares well to theoretical QCD predictions up to NNLO.
测量总粲数横截面对于与目前可用于粲数的最高精度的理论预测进行比较非常重要,这是完全已知的NNLO QCD的总包容性横截面。它们也独立于魅力碎片,而在基准相空间中对魅力强子的实际测量则不是。近年来,大型强子对撞机实验报道了粲碎裂的非普适性,这表明粲重子与介子的比在不同的碰撞系统中并不具有普适性,相关的产生分数也依赖于横向动量。这打破了直到最近才被假设为将实验测量外推到全总粲数横截面相空间的粲数碎片普适性。提出了如何以数据驱动的方式解决这种非普适性问题,而不需要实施任何特定的非普适性碎片模型的建议。作为一个实际例子,将该方法应用于已发表的LHC在$sqrt{s}=5$ TeV下的$D^0$产量值外推到相应的总粲子截面,首次充分解释了粲子碎片非普适性。结果为$8.43 ^{+1.05}_{-1.16}(text{total})$ mb,与假设魅力碎片普遍性的结果有很大不同,但仍然与理论QCD预测相比较,直到NNLO。
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引用次数: 0
Optimal colliding energy for the synthesis of superheavy element $Z$=119 合成超重元素的最佳碰撞能量$Z$=119
Pub Date : 2023-11-13 DOI: 10.48550/arxiv.2311.07145
Nasirov, Avazbek, Kayumov, Bakhodir
The evaporation residue (ER) cross section of 3n and 4n channels related to the synthesis of superheavy element (SHE) with the charge number $Z=119$ in the $^{51}$V+$^{248}$Cm reaction has been calculated by the dinuclear system (DNS) model as a sum of the partial cross sections of the corresponding channels. The angular momentum distribution of the compound nucleus is estimated by the dynamical trajectory calculations of the capture probability which is considered as the DNS formation probability. The fusion probability decreases by the increase of the DNS angular momentum due to its influence on the intrinsic fusion barrier $B_{rm fus}^*$. The range $alpha_2=60^{circ} div 70^{circ}$ of the orientation angle of the axial symmetry axis of the deformed target nucleus $^{248}$Cm is favorable for the formation of the compound nucleus. The fusion probability decreases at around $alpha_2=90^{circ}$ since the number of the partial waves contributing to the capture decreases. Therefore, it is important to calculate the capture cross section dynamically. The 4n channel cross section of the SHE synthesis is larger than the 3n channel cross section maximum value of the ER cross section is 12.3 fb at $E_{rm c.m.}$=232 MeV.
利用双核系统(DNS)模型计算了$^{51}$ V+ $^{248}$ Cm反应中与电荷数为$Z=119$的超重元素(SHE)合成有关的3n和4n通道的蒸发残馀(ER)截面,并将其作为相应通道部分截面的总和。通过捕获概率的动态轨迹计算来估计复合核的角动量分布,并将捕获概率视为DNS形成概率。由于DNS角动量对本征聚变势垒$B_{rm fus}^*$的影响,聚变概率随其增大而减小。变形靶核的对称轴取向角$^{248}$ Cm的范围$alpha_2=60^{circ} div 70^{circ}$有利于复合核的形成。由于促成捕获的部分波的数量减少,聚变概率在$alpha_2=90^{circ}$左右降低。因此,动态计算捕获截面是非常重要的。SHE合成的4n通道截面大于3n通道截面,在$E_{rm c.m.}$ =232 MeV时,ER截面最大值为12.3 fb。
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引用次数: 0
Solving Inverse Obstacle Scattering Problem with Latent Surface Representations 用潜在面表示求解逆障碍物散射问题
Pub Date : 2023-11-13 DOI: 10.48550/arxiv.2311.07187
Chen, Junqing, Jin, Bangti, Liu, Haibo
We propose a novel iterative numerical method to solve the three-dimensional inverse obstacle scattering problem of recovering the shape of the obstacle from far-field measurements. To address the inherent ill-posed nature of the inverse problem, we advocate the use of a trained latent representation of surfaces as the generative prior. This prior enjoys excellent expressivity within the given class of shapes, and meanwhile, the latent dimensionality is low, which greatly facilitates the computation. Thus, the admissible manifold of surfaces is realistic and the resulting optimization problem is less ill-posed. We employ the shape derivative to evolve the latent surface representation, by minimizing the loss, and we provide a local convergence analysis of a gradient descent type algorithm to a stationary point of the loss. We present several numerical examples, including also backscattered and phaseless data, to showcase the effectiveness of the proposed algorithm.
本文提出了一种新的迭代数值方法来解决从远场测量中恢复障碍物形状的三维逆障碍物散射问题。为了解决逆问题固有的病态性质,我们提倡使用训练过的曲面潜在表示作为生成先验。该先验在给定的形状类别内具有良好的表达性,同时潜在维数低,极大地方便了计算。因此,曲面的可容许流形是真实的,得到的优化问题的病态性较小。通过最小化损失,我们使用形状导数来进化潜在表面表示,并且我们提供了梯度下降型算法到损失平稳点的局部收敛分析。我们给出了几个数值例子,包括背散射和无相数据,以展示所提出算法的有效性。
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引用次数: 0
Do large language models and humans have similar behaviors in causal inference with script knowledge? 大型语言模型和人类在使用文字知识进行因果推理时有相似的行为吗?
Pub Date : 2023-11-13 DOI: 10.48550/arxiv.2311.07311
Hong, Xudong, Ryzhova, Margarita, Biondi, Daniel Adrian, Demberg, Vera
Recently, large pre-trained language models (LLMs) have demonstrated superior language understanding abilities, including zero-shot causal reasoning. However, it is unclear to what extent their capabilities are similar to human ones. We here study the processing of an event $B$ in a script-based story, which causally depends on a previous event $A$. In our manipulation, event $A$ is stated, negated, or omitted in an earlier section of the text. We first conducted a self-paced reading experiment, which showed that humans exhibit significantly longer reading times when causal conflicts exist ($neg A rightarrow B$) than under logical conditions ($A rightarrow B$). However, reading times remain similar when cause A is not explicitly mentioned, indicating that humans can easily infer event B from their script knowledge. We then tested a variety of LLMs on the same data to check to what extent the models replicate human behavior. Our experiments show that 1) only recent LLMs, like GPT-3 or Vicuna, correlate with human behavior in the $neg A rightarrow B$ condition. 2) Despite this correlation, all models still fail to predict that $nil rightarrow B$ is less surprising than $neg A rightarrow B$, indicating that LLMs still have difficulties integrating script knowledge. Our code and collected data set are available at https://github.com/tony-hong/causal-script.
最近,大型预训练语言模型(llm)已经展示了卓越的语言理解能力,包括零概率因果推理。然而,目前尚不清楚它们的能力在多大程度上与人类相似。我们在这里研究基于脚本的故事中事件$B$的处理,它因果地依赖于之前的事件$ a $。在我们的操作中,事件$A$在文本的前面部分被声明、否定或省略。我们首先进行了一个自定节奏的阅读实验,结果表明,当存在因果冲突($负a 右箭头B$)时,人类的阅读时间明显长于逻辑条件($ a 右箭头B$)。然而,当没有明确提到原因A时,阅读时间仍然相似,这表明人类可以很容易地从他们的脚本知识中推断出事件B。然后,我们在相同的数据上测试了各种llm,以检查模型在多大程度上复制了人类行为。我们的实验表明,1)只有最近的LLMs,如GPT-3或Vicuna,与人类在负A右B条件下的行为相关。2)尽管存在这种相关性,但所有模型仍然无法预测$nil right - row B$比$ - A right - row B$更令人惊讶,这表明llm仍然难以整合脚本知识。我们的代码和收集的数据集可在https://github.com/tony-hong/causal-script上获得。
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引用次数: 0
A new quasilinear model for turbulent momentum transport in tokamaks with flow shear and plasma shaping 具有流动剪切和等离子体成形的托卡马克紊流动量输运新拟线性模型
Pub Date : 2023-11-13 DOI: 10.48550/arxiv.2311.07159
Sun, Haomin, Ball, Justin, Brunner, Stephan, Volcokas, Arnas
Sufficiently strong flow shear reduces turbulent transport in tokamak plasmas, thereby improving the prospects for fusion power plants. It is therefore of great importance to efficiently explore parameter space to find where strong plasma flow can be achieved. To this end, we propose a new, physically motivated quasi-linear model for estimating momentum transport from turbulence in the presence of toroidal flow shear and plasma shaping. The method gives good estimates of momentum transport for up-down asymmetric geometries as well as low magnetic shear and tight aspect ratio. The results are benchmarked with high-fidelity nonlinear GENE simulations, demonstrating that it provides a fast and accurate estimate of momentum transport.
足够强的流动剪切减少了托卡马克等离子体中的湍流输运,从而改善了核聚变发电厂的前景。因此,有效地探索参数空间以找到可以实现强等离子体流的地方是非常重要的。为此,我们提出了一个新的、物理驱动的准线性模型,用于估计在环形流剪切和等离子体成形存在的湍流中的动量输运。该方法对上下不对称几何以及低磁切变和紧长径比的动量输运有很好的估计。结果与高保真非线性GENE模拟进行了基准测试,表明该方法可以快速准确地估计动量输运。
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引用次数: 0
期刊
arXiv (Cornell University)
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