中文
相关论文

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

200 篇论文

Power flow analysis plays a critical role in the control and operation of power systems. The high computational burden of traditional solution methods led to a shift towards data-driven approaches, exploiting the availability of digital…

系统与控制 · 电气工程与系统科学 2024-09-17 Victor Eeckhout , Hossein Fani , Md Umar Hashmi , Geert Deconinck

This paper provides a new avenue for exploiting deep neural networks to improve physics-based simulation. Specifically, we integrate the classic Lagrangian mechanics with a deep autoencoder to accelerate elastic simulation of deformable…

机器学习 · 计算机科学 2021-02-23 Siyuan Shen , Yang Yin , Tianjia Shao , He Wang , Chenfanfu Jiang , Lei Lan , Kun Zhou

Creating a single unified interatomic potential capable of attaining ab initio accuracy across all chemistry remains a long-standing challenge in computational chemistry and materials science. This work introduces a training protocol for…

We propose a new family of neural networks to predict the behaviors of physical systems by learning their underpinning constraints. A neural projection operator lies at the heart of our approach, composed of a lightweight network with an…

神经与进化计算 · 计算机科学 2020-12-15 Shuqi Yang , Xingzhe He , Bo Zhu

Large-scale atomistic computer simulations of materials heavily rely on interatomic potentials predicting the potential energy and Newtonian forces on atoms. Traditional interatomic potentials are based on physical intuition but contain few…

材料科学 · 物理学 2019-06-11 G. P. Purja Pun , R. Batra , R. Ramprasad , Y. Mishin

Identifying accurate dynamic models is required for the simulation and control of various technical systems. In many important real-world applications, however, the two main modeling approaches often fail to meet requirements: first…

机器学习 · 计算机科学 2021-04-19 Manuel A. Roehrl , Thomas A. Runkler , Veronika Brandtstetter , Michel Tokic , Stefan Obermayer

As a promising framework for resolving partial differential equations (PDEs), Physics-Informed Neural Networks (PINNs) have received widespread attention from industrial and scientific fields. However, lack of expressive ability and…

机器学习 · 计算机科学 2024-09-13 Feilong Jiang , Xiaonan Hou , Min Xia

The success of the current wave of artificial intelligence can be partly attributed to deep neural networks, which have proven to be very effective in learning complex patterns from large datasets with minimal human intervention. However,…

机器学习 · 计算机科学 2022-06-01 Haakon Robinson , Suraj Pawar , Adil Rasheed , Omer San

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

材料科学 · 物理学 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

Physics-informed neural networks (PINNs) effectively embed physical principles into machine learning, but often struggle with complex or alternating geometries. We propose a novel method for integrating geometric transformations within…

机器学习 · 计算机科学 2023-11-30 Samuel Burbulla

We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between…

DeepWarp is an efficient and highly re-usable deep neural network (DNN) based nonlinear deformable simulation framework. Unlike other deep learning applications such as image recognition, where different inputs have a uniform and consistent…

图形学 · 计算机科学 2021-02-18 Ran Luo , Tianjia Shao , Huamin Wang , Weiwei Xu , Kun Zhou , Yin Yang

Incorporating a priori physics knowledge into machine learning leads to more robust and interpretable algorithms. In this work, we combine deep learning techniques and classic numerical methods for differential equations to address two…

机器学习 · 计算机科学 2026-05-04 Caitlin Ho , Andrea Arnold

We applied physics-informed neural networks to solve the constitutive relations for nonlinear, path-dependent material behavior. As a result, the trained network not only satisfies all thermodynamic constraints but also instantly provides…

计算工程、金融与科学 · 计算机科学 2023-09-07 Shahed Rezaei , Ahmad Moeineddin , Ali Harandi

The great success of deep learning shows that its technology contains profound truth, and understanding its internal mechanism not only has important implications for the development of its technology and effective application in various…

机器学习 · 计算机科学 2018-05-23 Dian Lei , Xiaoxiao Chen , Jianfei Zhao

Deep reinforcement learning is becoming increasingly popular for robot control algorithms, with the aim for a robot to self-learn useful feature representations from unstructured sensory input leading to the optimal actuation policy. In…

机器人学 · 计算机科学 2017-03-16 Steven Bohez , Tim Verbelen , Elias De Coninck , Bert Vankeirsbilck , Pieter Simoens , Bart Dhoedt

The development of biophysical models for clinical applications is rapidly advancing in the research community, thanks to their predictive nature and their ability to assist the interpretation of clinical data. However, high-resolution and…

As a concrete application of multi-view learning, multi-view classification improves the traditional classification methods significantly by integrating various views optimally. Although most of the previous efforts have been demonstrated…

计算机视觉与模式识别 · 计算机科学 2020-07-14 Jinglin Xu , Wenbin Li , Jiantao Shen , Xinwang Liu , Peicheng Zhou , Xiangsen Zhang , Xiwen Yao , Junwei Han

Form a pure mathematical point of view, common functional forms representing different physical phenomena can be defined. For example, rates of chemical reactions, diffusion and heat transfer are all governed by exponential-type…

机器学习 · 计算机科学 2019-10-01 Navid Zobeiry , Keith D. Humfeld

We consider the use of Deep Learning methods for modeling complex phenomena like those occurring in natural physical processes. With the large amount of data gathered on these phenomena the data intensive paradigm could begin to challenge…

人工智能 · 计算机科学 2018-01-10 Emmanuel de Bezenac , Arthur Pajot , Patrick Gallinari
‹ 上一页 1 8 9 10 下一页 ›