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We present a data-efficient, multiscale framework for predicting the density profiles of confined fluids at the nanoscale. While accurate density estimates require prohibitively long timescales that are inaccessible by ab initio molecular…

Computational Physics · Physics 2025-09-11 Bugra Yalcin , Ishan Nadkarni , Jinu Jeong , Chenxing Liang , Narayana R. Aluru

Probabilistic Manifold Decomposition (PMD)\cite{doi:10.1137/25M1738863}, developed in our earlier work, provides a nonlinear model reduction by embedding high-dimensional dynamics onto low-dimensional probabilistic manifolds. The PMD has…

Numerical Analysis · Mathematics 2026-01-13 Jiaming Guo , Dunhui Xiao

In multi-body dynamics, the motion of a complicated physical object is described as a coupled ordinary differential equation system with multiple unknown solutions. Engineers need to constantly adjust the object to meet requirements at the…

Computational Engineering, Finance, and Science · Computer Science 2022-05-26 Wenhao Ding , Qing He , Hanghang Tong , Ping Wang

NOMAD is software for optimizing blackbox problems. In continuous development since 2001, it constantly evolved with the integration of new algorithmic features published in scientific publications. These features are motivated by real…

Optimization and Control · Mathematics 2021-05-05 Charles Audet , Sébastien Le Digabel , Viviane Rochon Montplaisir , Christophe Tribes

This paper proposes a unified framework of non-orthogonal multiple access (NOMA) networks. Stochastic geometry is employed to model the locations of spatially NOMA users. The proposed unified NOMA framework is capable of being applied to…

Information Theory · Computer Science 2019-01-23 Xinwei Yue , Zhijin Qin , Yuanwei Liu , Shaoli Kang , Yue Chen

We propose a novel extension to symmetrized neural network operators by incorporating fractional and mixed activation functions. This study addresses the limitations of existing models in approximating higher-order smooth functions,…

Machine Learning · Statistics 2025-01-22 Rômulo Damasclin Chaves dos Santos , Jorge Henrique de Oliveira Sales

Various approaches have been proposed for out-of-distribution (OOD) detection by augmenting models, input examples, training sets, and optimization objectives. Deviating from existing work, we have a simple hypothesis that standard…

Machine Learning · Computer Science 2022-03-29 Xin Dong , Junfeng Guo , Ang Li , Wei-Te Ting , Cong Liu , H. T. Kung

The analysis of nonlinear dynamical systems based on the Koopman operator is attracting attention in various applications. Dynamic mode decomposition (DMD) is a data-driven algorithm for Koopman spectral analysis, and several variants with…

Dynamical Systems · Mathematics 2017-10-31 Naoya Takeishi , Yoshinobu Kawahara , Takehisa Yairi

Uncertainty estimates help to identify ambiguous, novel, or anomalous inputs, but the reliable quantification of uncertainty has proven to be challenging for modern deep networks. In order to improve uncertainty estimation, we propose…

Machine Learning · Computer Science 2021-01-18 Kanil Patel , William Beluch , Dan Zhang , Michael Pfeiffer , Bin Yang

Deep neural operators are recognized as an effective tool for learning solution operators of complex partial differential equations (PDEs). As compared to laborious analytical and computational tools, a single neural operator can predict…

Machine Learning · Statistics 2023-02-14 Navaneeth N , Tapas Tripura , Souvik Chakraborty

Data-driven methods have emerged as powerful tools for modeling the responses of complex nonlinear materials directly from experimental measurements. Among these methods, the data-driven constitutive models present advantages in physical…

Machine Learning · Computer Science 2025-05-05 Jihong Wang , Xiaochuan Tian , Zhongqiang Zhang , Stewart Silling , Siavash Jafarzadeh , Yue Yu

Safe and efficient robot operation in complex human environments can benefit from good models of site-specific motion patterns. Maps of Dynamics (MoDs) provide such models by encoding statistical motion patterns in a map, but existing…

Solving high-dimensional partial differential equations (PDEs) efficiently requires handling multi-scale features across varying resolutions. To address this challenge, we present the Multiwavelet-based Multigrid Neural Operator (M2NO), a…

Machine Learning · Computer Science 2025-12-15 Zhihao Li , Zhilu Lai , Xiaobo Zhang , Wei Wang

Out-of-distribution (OOD) detection plays a crucial role in ensuring the safety and reliability of deep neural networks in various applications. While there has been a growing focus on OOD detection in visual data, the field of textual OOD…

Computation and Language · Computer Science 2024-04-10 Li-Ming Zhan , Bo Liu , Xiao-Ming Wu

We consider the problem of approximating a subset $M$ of a Hilbert space $X$ by a low-dimensional manifold $M_n$, using samples from $M$. We propose a nonlinear approximation method where $M_n $ is defined as the range of a smooth nonlinear…

Numerical Analysis · Mathematics 2025-11-20 Antoine Bensalah , Anthony Nouy , Joel Soffo

We present a neural-operator-accelerated concurrent multiscale framework that couples atomistic simulations with continuum finite-element analysis for history-dependent materials, thereby making atomistic-continuum multiscale simulations of…

Materials Science · Physics 2026-03-31 Tanvir Sohail , Burigede Liu , Swarnava Ghosh

This work proposes an extension of neural ordinary differential equations (NODEs) by introducing an additional set of ODE input parameters to NODEs. This extension allows NODEs to learn multiple dynamics specified by the input parameter…

Computational Physics · Physics 2021-11-17 Kookjin Lee , Eric J. Parish

A new data-driven method for operator learning of stochastic differential equations(SDE) is proposed in this paper. The central goal is to solve forward and inverse stochastic problems more effectively using limited data. Deep operator…

Machine Learning · Statistics 2022-04-08 Jiahao Zhang , Shiqi Zhang , Guang Lin

Non-linear manifold learning enables high-dimensional data analysis, but requires out-of-sample-extension methods to process new data points. In this paper, we propose a manifold learning algorithm based on deep learning to create an…

Machine Learning · Statistics 2015-06-26 Gal Mishne , Uri Shaham , Alexander Cloninger , Israel Cohen

Many unsupervised representation learning methods belong to the class of similarity learning models. While various modality-specific approaches exist for different types of data, a core property of many methods is that representations of…