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Yinkai Wang

5 accepted papers

2025

Graph Generative Pre-trained Transformer

ICML 2025poster

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize adjacency matrix representations, this work revisits an alternativ…

Cited by 2SourcePDFScholar
2025

MADGEN: Mass-Spec attends to De Novo Molecular generation

ICLR 2025poster

The annotation (assigning structural chemical identities) of MS/MS spectra remains a significant challenge due to the enormous molecular diversity in biological samples and the limited scope of reference databases. Currently, the vast majority of spectral measurements remain in the "dark chemical s…

2023

On Separate Normalization in Self-supervised Transformers

NeurIPS 2023poster

Self-supervised training methods for transformers have demonstrated remarkable performance across various domains. Previous transformer-based models, such as masked autoencoders (MAE), typically utilize a single normalization layer for both the [CLS] symbol and the tokens. We propose in this paper a…

2022

Multi-objective Deep Data Generation with Correlated Property Control

NeurIPS 2022accept

Developing deep generative models has been an emerging field due to the ability to model and generate complex data for various purposes, such as image synthesis and molecular design. However, the advance of deep generative models is limited by the challenges to generate objects that possess multiple…

Cited by 12SourcePDFScholar