activity
20232026
most citedLearning Over Molecular Conformer Ensembles: Datasets and Benchmarks

7 citations · 10 across the 10 of their papers we have counts for

collaborators
Showing 2024Show all

5 papers · 1 filter

cs.LG2024

Graph Fourier Neural ODEs: Modeling Spatial-temporal Multi-scales in Molecular Dynamics

Fang Sun, Zijie Huang, Haixin Wang +4

Accurately predicting long-horizon molecular dynamics (MD) trajectories remains a significant challenge, as existing deep learning methods often struggle to retain fidelity over ex…

cs.LG2024★ 1 cited

Physics-Informed Regularization for Domain-Agnostic Dynamical System Modeling

Zijie Huang, Wanjia Zhao, Jingdong Gao +6

Learning complex physical dynamics purely from data is challenging due to the intrinsic properties of systems to be satisfied. Incorporating physics-informed priors, such as in Ham…

cond-mat.mtrl-sci2024★ 1 cited

Inverse designing metamaterials with programmable nonlinear functional responses in graph space

Marco Maurizi, Derek Xu, Yu-Tong Wang +9

Material responses to static and dynamic stimuli, represented as nonlinear curves, are design targets for engineering functionalities like structural support, impact protection, an…

cs.LG2024

BrainODE: Dynamic Brain Signal Analysis via Graph-Aided Neural Ordinary Differential Equations

Kaiqiao Han, Yi Yang, Zijie Huang +8

Brain network analysis is vital for understanding the neural interactions regarding brain structures and functions, and identifying potential biomarkers for clinical phenotypes. Ho…

cs.LG2024

Causal Graph ODE: Continuous Treatment Effect Modeling in Multi-agent Dynamical Systems

Zijie Huang, Jeehyun Hwang, Junkai Zhang +6

Real-world multi-agent systems are often dynamic and continuous, where the agents co-evolve and undergo changes in their trajectories and interactions over time. For example, the C…