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In the paper, we present an integrated data-driven modeling framework based on process modeling, material homogenization, mechanistic machine learning, and concurrent multiscale simulation. We are interested in the injection-molded short…

Computational Engineering, Finance, and Science · Computer Science 2020-03-24 Zeliang Liu , Haoyan Wei , Tianyu Huang , C. T. Wu

Modeling nonlinear spatiotemporal dynamical systems has primarily relied on partial differential equations (PDEs). However, the explicit formulation of PDEs for many underexplored processes, such as climate systems, biochemical reaction and…

Machine Learning · Computer Science 2023-05-23 Chengping Rao , Hao Sun , Yang Liu

Modeling viscoelastic behavior is crucial in engineering and biomechanics, where materials undergo time-dependent deformations, including stress relaxation, creep buckling and biological tissue development. Traditional numerical methods,…

Computational Engineering, Finance, and Science · Computer Science 2025-12-12 Zhongya Lin , Jinshuai Bai , Shuang Li , Xindong Chen , Bo Li , Xi-Qiao Feng

Autonomous space systems operating in extreme thermal environments require accurate and efficient thermal modeling to support both pre-mission system design and onboard autonomy. For lunar rovers, large temperature gradients, radiative heat…

Machine Learning · Computer Science 2026-05-28 Samuel Weber , Zaki Hasnain , Souma Chowdhury

Solving parametric Partial Differential Equations (PDEs) for a broad range of parameters is a critical challenge in scientific computing. To this end, neural operators, which \textcolor{black}{predicts the PDE solution with variable PDE…

Numerical Analysis · Mathematics 2024-11-14 Weiheng Zhong , Hadi Meidani

We employ physics-informed neural networks (PINNs) to quantify the microstructure of a polycrystalline Nickel by computing the spatial variation of compliance coefficients (compressibility, stiffness and rigidity) of the material. The PINN…

While data-driven methods offer significant promise for modeling complex materials, they often face challenges in generalizing across diverse physical scenarios and maintaining physical consistency. To address these limitations, we propose…

Graphics · Computer Science 2025-10-27 Xueguang Xie , Shu Yan , Shiwen Jia , Siyu Yang , Aimin Hao , Yang Gao , Peng Yu

Advanced microscopy and/or spectroscopy tools play indispensable role in nanoscience and nanotechnology research, as it provides rich information about the growth mechanism, chemical compositions, crystallography, and other important…

This work proposes a Stochastic Variational Deep Kernel Learning method for the data-driven discovery of low-dimensional dynamical models from high-dimensional noisy data. The framework is composed of an encoder that compresses…

Machine Learning · Computer Science 2023-06-28 Nicolò Botteghi , Mengwu Guo , Christoph Brune

Predicting the stress-strain behaviors of additively manufactured materials is crucial for part qualification in additive manufacturing (AM). Conventional physics-based constitutive models often oversimplify material properties, while…

Machine Learning · Computer Science 2026-03-17 Chenglong Duan , Dazhong Wu

In this work, we further develop the Physics-informed Spectral Learning (PiSL) by Espath et al. \cite{Esp21} based on a discrete $L^2$ projection to solve the discrete Hodge--Helmholtz decomposition from sparse data. Within this…

Machine Learning · Computer Science 2023-02-23 Luis Espath , Pouria Behnoudfar , Raul Tempone

Simulating electronic behavior in materials and devices with realistic large system sizes remains a formidable task within the $ab$ $initio$ framework due to its computational intensity. Here we show DeePTB, an efficient deep learning-based…

Materials Science · Physics 2024-11-14 Qiangqiang Gu , Zhanghao Zhouyin , Shishir Kumar Pandey , Peng Zhang , Linfeng Zhang , Weinan E

In the present work, the applicability of physics-augmented neural network (PANN) constitutive models for complex electro-elastic finite element analysis is demonstrated. For the investigations, PANN models for electro-elastic material…

Computational Engineering, Finance, and Science · Computer Science 2024-02-13 Dominik K. Klein , Rogelio Ortigosa , Jesús Martínez-Frutos , Oliver Weeger

Electronically-active organic molecules have demonstrated great promise as novel soft materials for energy harvesting and transport. Self-assembled nanoaggregates formed from $\pi$-conjugated oligopeptides composed of an aromatic core…

Modern deep neural networks increasingly make use of features such as dynamic control flow, data structures and dynamic tensor shapes. Existing deep learning systems focus on optimizing and executing static neural networks which assume a…

Programming Languages · Computer Science 2021-03-15 Haichen Shen , Jared Roesch , Zhi Chen , Wei Chen , Yong Wu , Mu Li , Vin Sharma , Zachary Tatlock , Yida Wang

This study presents a dynamic neural network model based on the predictive coding framework for perceiving and predicting the dynamic visuo-proprioceptive patterns. In our previous study [1], we have shown that the deep dynamic neural…

Artificial Intelligence · Computer Science 2017-06-09 Jungsik Hwang , Jinhyung Kim , Ahmadreza Ahmadi , Minkyu Choi , Jun Tani

The multicomponent oxide solid solution is a versatile platform to tune the delicate balance between competing spin, charge, orbital, and lattice degrees of freedom for materials design and discovery. The development of compositionally…

Materials Science · Physics 2023-04-26 Jing Wu , Jiyuan Yang , Liyang Ma , Linfeng Zhang , Shi Liu

Climate models are essential to understand and project climate change, yet long-standing biases and uncertainties in their projections remain. This is largely associated with the representation of subgrid-scale processes, particularly…

A fundamental challenge in physics-informed machine learning (PIML) is the design of robust PIML methods for out-of-distribution (OOD) forecasting tasks. These OOD tasks require learning-to-learn from observations of the same (ODE)…

Machine Learning · Computer Science 2023-03-07 S Chandra Mouli , Muhammad Ashraful Alam , Bruno Ribeiro

High-fidelity simulation of complex physical systems is exorbitantly expensive and inaccessible across spatiotemporal scales. Recently, there has been an increasing interest in leveraging deep learning to augment scientific data based on…

Machine Learning · Computer Science 2022-08-03 Pu Ren , Chengping Rao , Yang Liu , Zihan Ma , Qi Wang , Jian-Xun Wang , Hao Sun