Adaptive Substructure-Aware Expert Model for Molecular Property Prediction
Fuente:
arXiv
Saved in:
| Main Authors: | Jiang, Tianyi, Wang, Zeyu, Yu, Shanqing, Xuan, Qi |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Knowledge-enhanced Relation Graph and Task Sampling for Few-shot Molecular Property Prediction
by: Wang, Zeyu, et al.
Published: (2024)
by: Wang, Zeyu, et al.
Published: (2024)
Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry
by: Wang, Zeyu, et al.
Published: (2024)
by: Wang, Zeyu, et al.
Published: (2024)
Mixture of Experts Meets Decoupled Message Passing: Towards General and Adaptive Node Classification
by: Chen, Xuanze, et al.
Published: (2024)
by: Chen, Xuanze, et al.
Published: (2024)
Subgraph Networks Based Contrastive Learning
by: Wang, Jinhuan, et al.
Published: (2023)
by: Wang, Jinhuan, et al.
Published: (2023)
Mixture of Message Passing Experts with Routing Entropy Regularization for Node Classification
by: Chen, Xuanze, et al.
Published: (2025)
by: Chen, Xuanze, et al.
Published: (2025)
CrossHGL: A Text-Free Foundation Model for Cross-Domain Heterogeneous Graph Learning
by: Chen, Xuanze, et al.
Published: (2026)
by: Chen, Xuanze, et al.
Published: (2026)
Topology-Aware Multiscale Mixture of Experts for Efficient Molecular Property Prediction
by: Nguyen, Long D., et al.
Published: (2026)
by: Nguyen, Long D., et al.
Published: (2026)
Few-shot Molecular Property Prediction: A Survey
by: Wang, Zeyu, et al.
Published: (2025)
by: Wang, Zeyu, et al.
Published: (2025)
Dual-view Aware Smart Contract Vulnerability Detection for Ethereum
by: Yao, Jiacheng, et al.
Published: (2024)
by: Yao, Jiacheng, et al.
Published: (2024)
Learning How Much to Think: Difficulty-Aware Dynamic MoEs for Graph Node Classification
by: Zhou, Jiajun, et al.
Published: (2026)
by: Zhou, Jiajun, et al.
Published: (2026)
GoMS: Graph of Molecule Substructure Network for Molecule Property Prediction
by: Qu, Shuhui, et al.
Published: (2025)
by: Qu, Shuhui, et al.
Published: (2025)
Rethinking Graph Transformer Architecture Design for Node Classification
by: Zhou, Jiajun, et al.
Published: (2024)
by: Zhou, Jiajun, et al.
Published: (2024)
Enhancing Ethereum Fraud Detection via Generative and Contrastive Self-supervision
by: Jin, Chenxiang, et al.
Published: (2024)
by: Jin, Chenxiang, et al.
Published: (2024)
Temporally Extended Mixture-of-Experts Models
by: Shen, Zeyu, et al.
Published: (2026)
by: Shen, Zeyu, et al.
Published: (2026)
ReCoG: Relational and Compact Context Graph Learning for Few-shot Molecular Property Prediction
by: Wang, Zeyu, et al.
Published: (2026)
by: Wang, Zeyu, et al.
Published: (2026)
The Structural Scalpel: Automated Contiguous Layer Pruning for Large Language Models
by: Lu, Yao, et al.
Published: (2025)
by: Lu, Yao, et al.
Published: (2025)
AttriLens-Mol: Attribute Guided Reinforcement Learning for Molecular Property Prediction with Large Language Models
by: Lin, Xuan, et al.
Published: (2025)
by: Lin, Xuan, et al.
Published: (2025)
Learning Hierarchical Interaction for Accurate Molecular Property Prediction
by: Hong, Huiyang, et al.
Published: (2025)
by: Hong, Huiyang, et al.
Published: (2025)
TestAgent: An Adaptive and Intelligent Expert for Human Assessment
by: Yu, Junhao, et al.
Published: (2025)
by: Yu, Junhao, et al.
Published: (2025)
ControlMol: Adding Substructure Control To Molecule Diffusion Models
by: Zhengyang, Qi, et al.
Published: (2024)
by: Zhengyang, Qi, et al.
Published: (2024)
Network Anomaly Traffic Detection via Multi-view Feature Fusion
by: Hao, Song, et al.
Published: (2024)
by: Hao, Song, et al.
Published: (2024)
Towards Adaptive Continual Model Merging via Manifold-Aware Expert Evolution
by: Qiu, Haiyun, et al.
Published: (2026)
by: Qiu, Haiyun, et al.
Published: (2026)
Disentangling Causal Substructures for Interpretable and Generalizable Drug Synergy Prediction
by: Luo, Yi, et al.
Published: (2025)
by: Luo, Yi, et al.
Published: (2025)
T2S-MPC: Time-Embedded Online Adaptive Model Predictive Control for Time-Varying Dynamics
by: Shen, Zeyu, et al.
Published: (2026)
by: Shen, Zeyu, et al.
Published: (2026)
Disentangled Graph Representation Based on Substructure-Aware Graph Optimal Matching Kernel Convolutional Networks
by: Wang, Mao, et al.
Published: (2025)
by: Wang, Mao, et al.
Published: (2025)
Multi-scale Graph Autoregressive Modeling: Molecular Property Prediction via Next Token Prediction
by: Jiang, Zhuoyang, et al.
Published: (2026)
by: Jiang, Zhuoyang, et al.
Published: (2026)
Sculpting Molecules in Text-3D Space: A Flexible Substructure Aware Framework for Text-Oriented Molecular Optimization
by: Zhang, Kaiwei, et al.
Published: (2024)
by: Zhang, Kaiwei, et al.
Published: (2024)
Do Graph Diffusion Models Accurately Capture and Generate Substructure Distributions?
by: Wang, Xiyuan, et al.
Published: (2025)
by: Wang, Xiyuan, et al.
Published: (2025)
Your Mixture-of-Experts LLM Is Secretly an Embedding Model For Free
by: Li, Ziyue, et al.
Published: (2024)
by: Li, Ziyue, et al.
Published: (2024)
RASA: Routing-Aware Safety Alignment for Mixture-of-Experts Models
by: Liang, Jiacheng, et al.
Published: (2026)
by: Liang, Jiacheng, et al.
Published: (2026)
Hierarchical Local-Global Feature Learning for Few-shot Malicious Traffic Detection
by: Peng, Songtao, et al.
Published: (2025)
by: Peng, Songtao, et al.
Published: (2025)
XMoE: Sparse Models with Fine-grained and Adaptive Expert Selection
by: Yang, Yuanhang, et al.
Published: (2024)
by: Yang, Yuanhang, et al.
Published: (2024)
LoRALib: A Standardized Benchmark for Evaluating LoRA-MoE Methods
by: Wang, Shaoheng, et al.
Published: (2025)
by: Wang, Shaoheng, et al.
Published: (2025)
Improving Predictions of Molecular Properties with Graph Featurisation and Heterogeneous Ensemble Models
by: Parker, Michael L., et al.
Published: (2025)
by: Parker, Michael L., et al.
Published: (2025)
Efficient Parallel Genetic Algorithm for Perturbed Substructure Optimization in Complex Network
by: Yu, Shanqing, et al.
Published: (2024)
by: Yu, Shanqing, et al.
Published: (2024)
Meta-Learning Linear Models for Molecular Property Prediction
by: Pimonova, Yulia, et al.
Published: (2025)
by: Pimonova, Yulia, et al.
Published: (2025)
Clarify Confused Nodes via Separated Learning
by: Zhou, Jiajun, et al.
Published: (2023)
by: Zhou, Jiajun, et al.
Published: (2023)
PathMLP: Smooth Path Towards High-order Homophily
by: Zhou, Jiajun, et al.
Published: (2023)
by: Zhou, Jiajun, et al.
Published: (2023)
Explainable Molecular Property Prediction: Aligning Chemical Concepts with Predictions via Language Models
by: Wang, Zhenzhong, et al.
Published: (2024)
by: Wang, Zhenzhong, et al.
Published: (2024)
GlassMol: Interpretable Molecular Property Prediction with Concept Bottleneck Models
by: Rivera, Oscar, et al.
Published: (2026)
by: Rivera, Oscar, et al.
Published: (2026)
Similar Items
-
Knowledge-enhanced Relation Graph and Task Sampling for Few-shot Molecular Property Prediction
by: Wang, Zeyu, et al.
Published: (2024) -
Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry
by: Wang, Zeyu, et al.
Published: (2024) -
Mixture of Experts Meets Decoupled Message Passing: Towards General and Adaptive Node Classification
by: Chen, Xuanze, et al.
Published: (2024) -
Subgraph Networks Based Contrastive Learning
by: Wang, Jinhuan, et al.
Published: (2023) -
Mixture of Message Passing Experts with Routing Entropy Regularization for Node Classification
by: Chen, Xuanze, et al.
Published: (2025)