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We introduce a method for the estimation of uncertainties in density-functional-theory (DFT) calculations for atomistic systems. The method is based on the construction of an uncertainty-aware functional distribution (UAFD) in a space…

材料科学 · 物理学 2025-07-14 Teitur Hansen , Jens Jørgen Mortensen , Thomas Bligaard , Karsten Wedel Jacobsen

This paper presents a practical approach for detecting non-stationarity in time series prediction. This method is called SAFE and works by monitoring the evolution of the spectral contents of time series through a distance function. This…

机器学习 · 计算机科学 2018-05-18 Arief Koesdwiady , Fakhri Karray

This article discusses a mixed FE technique for 3D nonlinear elasticity using a Hu-Washizu (HW) type variational principle. Here, the deformed configuration and sections from its cotangent bundle are taken as additional input arguments. The…

数值分析 · 数学 2021-09-06 Bensingh Dhas , Jamun Kumar , Debasish Roy , J N Reddy

Particle breakage due to collisional interactions plays a vital role in the development of several phenomena in science and engineering. The nonlinear collisional breakage equations (NCBEs) are a significant set of equations in this…

数值分析 · 数学 2026-04-14 Arushi Arushi , Naresh Kumar

Casting nonlocal problems in variational form and discretizing them with the finite element (FE) method facilitates the use of nonlocal vector calculus to prove well-posedeness, convergence, and stability of such schemes. Employing an FE…

Fractional calculus provides a rigorous mathematical framework to describe anomalous stochastic processes by generalizing the notion of classical differential equations to their fractional-order counterparts. By introducing the fractional…

数值分析 · 数学 2018-06-04 Ehsan Kharazmi , Mohsen Zayernouri

The task of occupancy forecasting (OCF) involves utilizing past and present perception data to predict future occupancy states of autonomous vehicle surrounding environments, which is critical for downstream tasks such as obstacle avoidance…

计算机视觉与模式识别 · 计算机科学 2024-11-22 Jingyi Xu , Xieyuanli Chen , Junyi Ma , Jiawei Huang , Jintao Xu , Yue Wang , Ling Pei

Feature selection reduces the dimensionality of data by identifying a subset of the most informative features. In this paper, we propose an innovative framework for unsupervised feature selection, called fractal autoencoders (FAE). It…

机器学习 · 计算机科学 2022-01-06 Xinxing Wu , Qiang Cheng

Out-of-Distribution(OOD) detection, a fundamental machine learning task aimed at identifying abnormal samples, traditionally requires model retraining for different inlier distributions. While recent research demonstrates the applicability…

机器学习 · 计算机科学 2025-02-25 Hongzhe Cheng , Tianyou Zheng , Tianyi Zhang , Matthew Johnson-Roberson , Weiming Zhi

We derive and analyze the alternating direction explicit (ADE) method for time evolution equations with the time-dependent Dirichlet boundary condition and with the zero Neumann boundary condition. The original ADE method is an additive…

数值分析 · 数学 2022-06-14 Hao Liu , Shingyu Leung

Drawing upon the bursting mechanism in slow-fast systems, we propose indicators for the prediction of such rare extreme events which do not require a priori known slow and fast coordinates. The indicators are associated with functionals…

动力系统 · 数学 2016-09-21 Mohammad Farazmand , Themistoklis Sapsis

This paper proposes a methodology to estimate characteristic functions of stochastic differential equations that are defined over polynomials and driven by L\'evy noise. For such systems, the time evolution of the characteristic function is…

最优化与控制 · 数学 2017-11-20 Khem Raj Ghusinga , Andrew Lamperski , Abhyudai Singh

In this work, we investigate a novel approach for the simulation of two-dimensional, brittle, quasi-static fracture problems based on a shape optimization approach. In contrast to the commonly-used phase-field approach, this proposed…

最优化与控制 · 数学 2025-07-28 Tim Suchan , Winnifried Wollner , Kathrin Welker

Neural ODEs (NODEs) have emerged as powerful tools for modeling time series data, offering the flexibility to adapt to varying input scales and capture complex dynamics. However, they face significant challenges: first, their reliance on…

机器学习 · 计算机科学 2025-10-07 Muhao Guo , Yang Weng

Ordinary differential equation (ODE) is widely used in modeling biological and physical processes in science. In this article, we propose a new reproducing kernel-based approach for estimation and inference of ODE given noisy observations.…

统计方法学 · 统计学 2021-10-26 Xiaowu Dai , Lexin Li

We study nonparametric estimation in dynamical systems described by ordinary differential equations (ODEs). Specifically, we focus on estimating the unknown function $f \colon \mathbb{R}^d \to \mathbb{R}^d$ that governs the system dynamics…

统计理论 · 数学 2025-01-06 Christof Schötz

Applying proper orthogonal decomposition to a usual finite element (FE) formulation for space fractional partial differential equation, we get a reduced FE model, which greatly reduces the complexity of computation. Then, the stability…

数值分析 · 数学 2019-01-04 Jing Sun , Daxin Nie , Weihua Deng

The fractal dimension is a central quantity in nonlinear dynamics and can be estimated via several different numerical techniques. In this review paper we present a self-contained and comprehensive introduction to the fractal dimension. We…

混沌动力学 · 物理学 2023-12-12 George Datseris , Inga Kottlarz , Anton P. Braun , Ulrich Parlitz

Complex systems are sometimes subject to non Gaussian alpha stable Levy fluctuations. A new method is devised to estimate this uncertain parameter and other system parameters, using observations on either mean exit time or escape…

动力系统 · 数学 2013-06-04 Ting Gao , Jinqiao Duan

We design and analyse a new numerical method to solve ODE system based on the structural method. We compute approximations of solutions together with its derivatives up to order $K$ by solving an entire block corresponding to $R$ time…

数值分析 · 数学 2025-08-05 S. Clain , M. T. Malheiro , G. J. Machado , R. Costa