Poster "molecular representation learning" Papers
10 papers found
Conference
BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models
Evan Antoniuk, Shehtab Zaman, Tal Ben-Nun et al.
NEURIPS 2025arXiv:2505.01912
7
citations
DenoiseVAE: Learning Molecule-Adaptive Noise Distributions for Denoising-based 3D Molecular Pre-training
Yurou Liu, Jiahao Chen, Rui Jiao et al.
ICLR 2025
5
citations
Learning Molecular Representation in a Cell
Gang Liu, Srijit Seal, John Arevalo et al.
ICLR 2025arXiv:2406.12056
13
citations
On the Expressive Power of Sparse Geometric MPNNs
Yonatan Sverdlov, Nadav Dym
ICLR 2025arXiv:2407.02025
6
citations
Self-Supervised Diffusion Models for Electron-Aware Molecular Representation Learning
Gyoung S. Na, Chanyoung Park
ICLR 2025
Symmetry-Preserving Conformer Ensemble Networks for Molecular Representation Learning
Yanqiao Zhu, Yidan Shi, Yuanzhou Chen et al.
NEURIPS 2025
GeoMFormer: A General Architecture for Geometric Molecular Representation Learning
Tianlang Chen, Shengjie Luo, Di He et al.
ICML 2024arXiv:2406.16853
9
citations
Mol-AE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective
Junwei Yang, Kangjie Zheng, Siyu Long et al.
ICML 2024
On the Generalization of Equivariant Graph Neural Networks
Rafał Karczewski, Amauri Souza, Vikas Garg
ICML 2024
UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning
Shikun Feng, Yuyan Ni, Li et al.
ICML 2024arXiv:2405.10343
18
citations