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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…

Materials Science · Physics 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…

Machine Learning · Computer Science 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 2022-05-25 Marco Pasetto , Zhaoxiang Shen , Marta D'Elia , Xiaochuan Tian , Nathaniel Trask , David Kamensky

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…

Numerical Analysis · Mathematics 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…

Computer Vision and Pattern Recognition · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Numerical Analysis · Mathematics 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…

Dynamical Systems · Mathematics 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…

Optimization and Control · Mathematics 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…

Optimization and Control · Mathematics 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…

Machine Learning · Computer Science 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.…

Methodology · Statistics 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…

Statistics Theory · Mathematics 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…

Numerical Analysis · Mathematics 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…

Chaotic Dynamics · Physics 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…

Dynamical Systems · Mathematics 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…

Numerical Analysis · Mathematics 2025-08-05 S. Clain , M. T. Malheiro , G. J. Machado , R. Costa