3 citations · 5 across the 4 of their papers we have counts for
8 papers
3D-GSRD: 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding
Chang Wu, Zhiyuan Liu, Wen Shu +6
Masked graph modeling (MGM) is a promising approach for molecular representation learning (MRL).However, extending the success of re-mask decoding from 2D to 3D MGM is non-trivial,…
PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs
Xinzhe Zheng, Hao Du, Fanding Xu +9
Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on iso…
Search and Refine During Think: Facilitating Knowledge Refinement for Improved Retrieval-Augmented Reasoning
Yaorui Shi, Sihang Li, Chang Wu +5
Large language models have demonstrated impressive reasoning capabilities but are inherently limited by their knowledge reservoir. Retrieval-augmented reasoning mitigates this limi…
Towards Unified and Lossless Latent Space for 3D Molecular Latent Diffusion Modeling
Yanchen Luo, Zhiyuan Liu, Yi Zhao +6
3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordi…
Language-Enhanced Representation Learning for Single-Cell Transcriptomics
Yaorui Shi, Jiaqi Yang, Changhao Nai +5
Single-cell RNA sequencing (scRNA-seq) offers detailed insights into cellular heterogeneity. Recent advancements leverage single-cell large language models (scLLMs) for effective r…
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation
Zhiyuan Liu, Yanchen Luo, Han Huang +7
3D molecule generation is crucial for drug discovery and material design. While prior efforts focus on 3D diffusion models for their benefits in modeling continuous 3D conformers,…