6 papers
Stochastic Control Policies for Robust Molecular Transition Path Sampling
Jingqian Liu, Yu-Hsiang Wang, Yanru Qu +1
Transition path sampling (TPS) aims to efficiently generate rare molecular transition trajectories between metastable states and is essential for understanding biomolecular mechani…
THeGAU: Type-Aware Heterogeneous Graph Autoencoder and Augmentation
Ming-Yi Hong, Miao-Chen Chiang, Youchen Teng +3
Heterogeneous Graph Neural Networks (HGNNs) are effective for modeling Heterogeneous Information Networks (HINs), which encode complex multi-typed entities and relations. However,…
WaveletDiff: Multilevel Wavelet Diffusion For Time Series Generation
Yu-Hsiang Wang, Olgica Milenkovic
Time series are ubiquitous in many applications that involve forecasting, classification and causal inference tasks, such as healthcare, finance, audio signal processing and climat…
DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation Platform
Peizhi Niu, Yu-Hsiang Wang, Vishal Rana +3
We introduce a new graph diffusion model for small molecule generation, DMol, which outperforms the state-of-the-art DiGress model in terms of validity by roughly 1.5% across all b…
CLUE: Concept-Level Uncertainty Estimation for Large Language Models
Yu-Hsiang Wang, Andrew Bai, Che-Ping Tsai +1
Large Language Models (LLMs) have demonstrated remarkable proficiency in various natural language generation (NLG) tasks. Previous studies suggest that LLMs' generation process inv…
MiniSUPERB: Lightweight Benchmark for Self-supervised Speech Models
Yu-Hsiang Wang, Huang-Yu Chen, Kai-Wei Chang +2
SUPERB was proposed to evaluate the generalizability of self-supervised learning (SSL) speech models across various tasks. However, it incurs high computational costs due to the la…