Cover Image

Pre-training Graph Neural Networks on 2D and 3D Molecular Structures by using Multi-View Conditional Information Bottleneck

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Hoang, Van Thuy, Lee, O-Joun
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Artificial Intelligence
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck
by: Hoang, Van Thuy, et al.
Published: (2024)

Context-aware Graph Causality Inference for Few-Shot Molecular Property Prediction
by: Hoang, Van Thuy, et al.
Published: (2026)

A Survey on Structure-Preserving Graph Transformers
by: Hoang, Van Thuy, et al.
Published: (2024)

Mitigating Degree Bias in Graph Representation Learning with Learnable Structural Augmentation and Structural Self-Attention
by: Hoang, Van Thuy, et al.
Published: (2025)

Delayed Bottlenecking: Alleviating Forgetting in Pre-trained Graph Neural Networks
by: Zhao, Zhe, et al.
Published: (2024)

Discovering Spatial Correlations of Earth Observations for weather forecasting by using Graph Structure Learning
by: Jeon, Hyeon-Ju, et al.
Published: (2025)

3D Interaction Geometric Pre-training for Molecular Relational Learning
by: Lee, Namkyeong, et al.
Published: (2024)

CloudNine: Analyzing Meteorological Observation Impact on Weather Prediction Using Explainable Graph Neural Networks
by: Jeon, Hyeon-Ju, et al.
Published: (2024)

Halal or Not: Knowledge Graph Completion for Predicting Cultural Appropriateness of Daily Products
by: Hoang, Van Thuy, et al.
Published: (2025)

Discovering the Representation Bottleneck of Graph Neural Networks
by: Wu, Fang, et al.
Published: (2022)

Search to Fine-tune Pre-trained Graph Neural Networks for Graph-level Tasks
by: Wang, Zhili, et al.
Published: (2023)

Multimodal 3D Genome Pre-training
by: Yang, Minghao, et al.
Published: (2025)

Explainable Graph Neural Networks for Observation Impact Analysis in Atmospheric State Estimation
by: Jeon, Hyeon-Ju, et al.
Published: (2024)

Graph Structure Learning with Temporal Graph Information Bottleneck for Inductive Representation Learning
by: Xiong, Jiafeng, et al.
Published: (2025)

Topological Neural Networks: Mitigating the Bottlenecks of Graph Neural Networks via Higher-Order Interactions
by: Giusti, Lorenzo
Published: (2024)

Dynamic Graph Information Bottleneck
by: Yuan, Haonan, et al.
Published: (2024)

Learning Fair Graph Representations with Multi-view Information Bottleneck
by: Liu, Chuxun, et al.
Published: (2025)

Solving 3D Inverse Problems using Pre-trained 2D Diffusion Models
by: Chung, Hyungjin, et al.
Published: (2022)

GaGSL: Global-augmented Graph Structure Learning via Graph Information Bottleneck
by: Li, Shuangjie, et al.
Published: (2024)

MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra
by: Wang, Liang, et al.
Published: (2025)

Unified Molecule Pre-training with Flexible 2D and 3D Modalities: Single and Paired Modality Integration
by: Song, Tengwei, et al.
Published: (2025)

Stylized Structural Patterns for Improved Neural Network Pre-training
by: Salehi, Farnood, et al.
Published: (2025)

Can we ease the Injectivity Bottleneck on Lorentzian Manifolds for Graph Neural Networks?
by: Srinivasan, Srinitish, et al.
Published: (2025)

Graph Neural Network with One-side Edge Sampling for Fraud Detection
by: Trieu, Hoang Hiep
Published: (2026)

Multi-View Spectral Clustering for Graphs with Multiple View Structures
by: Tsitsikas, Yorgos, et al.
Published: (2025)

MLGIB: Multi-Label Graph Information Bottleneck for Expressive and Robust Message Passing
by: Wu, Chaokai, et al.
Published: (2026)

Interpretable Prototype-based Graph Information Bottleneck
by: Seo, Sangwoo, et al.
Published: (2023)

Graph Generative Pre-trained Transformer
by: Chen, Xiaohui, et al.
Published: (2025)

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration
by: Choi, Seungyeon, et al.
Published: (2025)

Transfer Learning with Pre-trained Conditional Generative Models
by: Yamaguchi, Shin'ya, et al.
Published: (2022)

Blood Glucose Control Via Pre-trained Counterfactual Invertible Neural Networks
by: Jiang, Jingchi, et al.
Published: (2024)

TomoGraphView: 3D Medical Image Classification with Omnidirectional Slice Representations and Graph Neural Networks
by: Kiechle, Johannes, et al.
Published: (2025)

GraphGPT: Generative Pre-trained Graph Eulerian Transformer
by: Zhao, Qifang, et al.
Published: (2023)

Heterogeneous Information-Bottleneck Coordination Graphs for Multi-Agent Reinforcement Learning
by: Duan, Wei, et al.
Published: (2026)

PPT-GNN: A Practical Pre-Trained Spatio-Temporal Graph Neural Network for Network Security
by: Van Langendonck, Louis, et al.
Published: (2024)

Efficient Parallel Audio Generation using Group Masked Language Modeling
by: Jeong, Myeonghun, et al.
Published: (2024)

Graph-Conditioned Mixture of Graph Neural Network Experts for Traffic Forecasting
by: Ghaffari, Amirhossein, et al.
Published: (2026)

Neural Dynamics-Informed Pre-trained Framework for Personalized Brain Functional Network Construction
by: Jiang, Hongjie, et al.
Published: (2026)

GRAIN: Multi-Granular and Implicit Information Aggregation Graph Neural Network for Heterophilous Graphs
by: Zhao, Songwei, et al.
Published: (2025)

TripCast: Pre-training of Masked 2D Transformers for Trip Time Series Forecasting
by: Liao, Yuhua, et al.
Published: (2024)