most citedAn Iterative Framework for Generative Backmapping of Coarse Grained Proteins

1 citations · 1 across the 5 of their papers we have counts for

collaborators

6 papers

cs.LG2025

Can Data-Driven Dynamics Reveal Hidden Physics? There Is A Need for Interpretable Neural Operators

Wenhan Gao, Jian Luo, Fang Wan +4

Recently, neural operators have emerged as powerful tools for learning mappings between function spaces, enabling data-driven simulations of complex dynamics. Despite their success…

physics.comp-ph2025

Boundary-Informed Method of Lines for Physics Informed Neural Networks

Maximilian Cederholm, Siyao Wang, Haochun Wang +2

We propose a hybrid solver that fuses the dimensionality-reduction strengths of the Method of Lines (MOL) with the flexibility of Physics-Informed Neural Networks (PINNs). Instead…

cs.LG2025

Kolmogorov-Arnold Representation for Symplectic Learning: Advancing Hamiltonian Neural Networks

Zongyu Wu, Ruichen Xu, Luoyao Chen +3

We propose a Kolmogorov-Arnold Representation-based Hamiltonian Neural Network (KAR-HNN) that replaces the Multilayer Perceptrons (MLPs) with univariate transformations. While Hami…

cs.LG20251 cited

An Iterative Framework for Generative Backmapping of Coarse Grained Proteins

Georgios Kementzidis, Erin Wong, John Nicholson +2

The techniques of data-driven backmapping from coarse-grained (CG) to fine-grained (FG) representation often struggle with accuracy, unstable training, and physical realism, especi…

physics.comp-ph2025

Velocity-Inferred Hamiltonian Neural Networks: Learning Energy-Conserving Dynamics from Position-Only Data

Ruichen Xu, Zongyu Wu, Luoyao Chen +5

Data-driven modeling of physical systems often relies on learning both positions and momenta to accurately capture Hamiltonian dynamics. However, in many practical scenarios, only…

math.OC2025

The Impact of Move Schemes on Simulated Annealing Performance

Ruichen Xu, Haochun Wang, Yuefan Deng

Designing an effective move-generation function for Simulated Annealing (SA) in complex models remains a significant challenge. In this work, we present a combination of theoretica…