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Ziyuan ZHAO

4 accepted papers

2024

MMGNN: A Molecular Merged Graph Neural Network for Explainable Solvation Free Energy Prediction

IJCAI 2024poster

In this paper, we address the challenge of accurately modeling and predicting Gibbs free energy in solute-solvent interactions, a pivotal yet complex aspect in the field of chemical modeling. Traditional approaches, primarily relying on deep learning models, face limitations in capturing the intrica…

Cited by 5SourcePDFScholar
2023

SemiGNN-PPI: Self-Ensembling Multi-Graph Neural Network for Efficient and Generalizable Protein–Protein Interaction Prediction

IJCAI 2023poster

Protein-protein interactions (PPIs) are crucial in various biological processes and their study has significant implications for drug development and disease diagnosis. Existing deep learning methods suffer from significant performance degradation under complex real-world scenarios due to various fa…

Cited by 21SourcePDFScholar
2022

Self-Supervised Contrastive Pre-Training For Time Series via Time-Frequency Consistency

NeurIPS 2022accept

Pre-training on time series poses a unique challenge due to the potential mismatch between pre-training and target domains, such as shifts in temporal dynamics, fast-evolving trends, and long-range and short-cyclic effects, which can lead to poor downstream performance. While domain adaptation metho…