5 papers
Continuous-Time Quantum Walks based Graph Neural Network
Yuliang Zhan, Zefeng Gao, Jian Li +2
Graph Neural Networks (GNNs) are widely used on graph-structured data, but most suffer from two key weaknesses. First, message passing behaves as a low-pass filter under the homoph…
Physics Transformer: Tailoring Transformer for General PDE Prediction
Guoze Sun, Rui Zhang, Jiankai Tang +4
Transformer architectures have attracted increasing attention for solving partial differential equations (PDEs), owing to their flexibility in handling irregular discretizations an…
NPSolver: Neural Poisson Solver with Iterative Physics Supervision
Bocheng Zeng, Rui Zhang, Runze Mao +5
Efficiently solving Poisson equations on complex, irregular domains remains a fundamental challenge in scientific computing, as classical iterative solvers often suffer from prohib…
Siamese Foundation Models for Crystal Structure Prediction
Liming Wu, Wenbing Huang, Rui Jiao +8
Predicting crystal structures from chemical compositions is a fundamental challenge in materials discovery, complicated by complex 3D geometries that distinguish it from fields lik…
CloDS: Visual-Only Unsupervised Cloth Dynamics Learning in Unknown Conditions
Yuliang Zhan, Jian Li, Wenbing Huang +2
Deep learning has demonstrated remarkable capabilities in simulating complex dynamic systems. However, existing methods require known physical properties as supervision or inputs,…