相关论文: Bridging deep learning force fields and electronic…

The paper presents an efficient and robust data-driven deep learning (DL) computational framework developed for linear continuum elasticity problems. The methodology is based on the fundamentals of the Physics Informed Neural Networks…

Deep learning methods have recently made notable advances in the tasks of classification and representation learning. These tasks are important for brain imaging and neuroscience discovery, making the methods attractive for porting to a…

Modeling complex physical dynamics is a fundamental task in science and engineering. Traditional physics-based models are sample efficient, and interpretable but often rely on rigid assumptions. Furthermore, direct numerical approximation…

In this paper, we present a novel deep learning approach, deeply-fused nets. The central idea of our approach is deep fusion, i.e., combine the intermediate representations of base networks, where the fused output serves as the input of the…

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…

In this work, we present the physics-informed neural network (PINN) model applied particularly to dynamic problems in solid mechanics. We focus on forward and inverse problems. Particularly, we show how a PINN model can be used efficiently…

In this paper, we present a method of embedding physics data manifolds with metric structure into lower dimensional spaces with simpler metrics, such as Euclidean and Hyperbolic spaces. We then demonstrate that it can be a powerful step in…

This paper proposes a reinforcement learning framework for performance-driven structural design that combines bottom-up design generation with learned strategies to efficiently search large combinatorial design spaces. Motivated by the…

Combining physics with machine learning models has advanced the performance of machine learning models in many different applications. In this paper, we evaluate adding a weak physics constraint, i.e., a physics-based empirical…

Two-dimensional (2D) materials exhibit a wide range of electronic properties that make them promising candidates for next-generation nanoelectronic devices. Accurate prediction of their quantum transport behavior is therefore of both…

While Deep Learning has demonstrated impressive results in applications on various data types, it continues to lag behind tree-based methods when applied to tabular data, often referred to as the last "unconquered castle" for neural…

In the present work, a machine learning based constitutive model for electro-mechanically coupled material behavior at finite deformations is proposed. Using different sets of invariants as inputs, an internal energy density is formulated…

Physics-informed neural networks have emerged as an alternative method for solving partial differential equations. However, for complex problems, the training of such networks can still require high-fidelity data which can be expensive to…

In computational physics and materials science, first-principles methods, particularly density functional theory, have become central tools for electronic structure prediction and materials design. Recently, rapid advances in artificial…

Deep artificial neural networks are powerful tools with many possible applications in nanophotonics. Here, we demonstrate how a deep neural network can be used as a fast, general purpose predictor of the full near-field and far-field…

To fully understand, analyze, and determine the behavior of dynamical systems, it is crucial to identify their intrinsic modal coordinates. In nonlinear dynamical systems, this task is challenging as the modal transformation based on the…

The incorporation of prior knowledge into learning is essential in achieving good performance based on small noisy samples. Such knowledge is often incorporated through the availability of related data arising from domains and tasks similar…

Moir\'e superlattices in two-dimensional (2D) materials exhibit rich quantum phenomena, but ab initio modelling of these systems remains computationally prohibitive. Existing machine learning methods for accelerating density-functional…

Realizing large materials models has emerged as a critical endeavor for materials research in the new era of artificial intelligence, but how to achieve this fantastic and challenging objective remains elusive. Here, we propose a feasible…

Deep neural networks have garnered widespread attention due to their simplicity and flexibility in the fields of engineering and scientific calculation. In this study, we probe into solving a class of elliptic partial differential…