Yaorui Shi
5 papers · 2023–2025 · 4 venues · across top CS/AI venues
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Achievements
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Conference Polyglot · Bronze
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Interdisciplinary Bridge · Silver
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Taxonomy Completionist
(16)
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Hot Topic Early Bird
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Trend Setter
Venues
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Research topics
Deep Learning
(4)
Models
(4)
Artificial Intelligence
(3)
Machine Learning
(3)
Architectures
(3)
Core AI
(3)
Interdisciplinary
(2)
Natural Language Processing
(2)
Core Methods
(2)
Learning Types · Machine Learning
(2)
Science
(2)
Application Areas
(1)
Generation
(1)
Learning Types · Deep Learning
(1)
Resources & Methods
(1)
Keywords
self-supervised learning
(2)
large language model
(2)
graph neural network
(2)
language model
(2)
out-of-distribution generalization
(1)
diffusion model
(1)
molecular graph
(1)
supervised fine-tuning
(1)
chemical reaction
(1)
continual pre-training
(1)
molecular representation
(1)
graph autoencoder
(1)
knowledge integration
(1)
chemical reaction prediction
(1)
language model pretraining
(1)
scientific literature
(1)
confidence score
(1)
3d molecule generation
(1)
molecule captioning
(1)
chemical synthesis
(1)
Papers
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation
ICLR 2025
SciLitLLM: How to Adapt LLMs for Scientific Literature Understanding
ICLR 2025
ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining
ACL 2024
ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction
EMNLP 2023
Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules
NeurIPS 2023