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20232026
most citedRethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules

5 citations · 15 across the 19 of their papers we have counts for

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7 papers · 1 filter

cs.LG2026

When to Stop Reusing: Dynamic Gradient Gating for Sample-Efficient RLVR

Yuchun Miao, Sen Zhang, Yuqi Zhang +4

Reinforcement Learning with Verifiable Rewards (RLVR) has become the dominant paradigm for advanced reasoning in Large Language Models (LLMs), but rollout samples are expensive to…

cs.LG2025

Reasoning-Enhanced Large Language Models for Molecular Property Prediction

Jiaxi Zhuang, Yaorui Shi, Jue Hou +8

Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and…

cs.LG2025

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…

cs.LG2025★ 3 cited

Intelligent System for Automated Molecular Patent Infringement Assessment

Yaorui Shi, Sihang Li, Taiyan Zhang +12

Automated drug discovery offers significant potential for accelerating the development of novel therapeutics by substituting labor-intensive human workflows with machine-driven pro…

cs.LG2024★ 2 cited

SciLitLLM: How to Adapt LLMs for Scientific Literature Understanding

Sihang Li, Jin Huang, Jiaxi Zhuang +7

Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarka…

cs.LG2023★ 1 cited

ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction

Yaorui Shi, An Zhang, Enzhi Zhang +2

Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably tho…

cs.LG2023★ 5 cited

Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules

Zhiyuan Liu, Yaorui Shi, An Zhang +4

Masked graph modeling excels in the self-supervised representation learning of molecular graphs. Scrutinizing previous studies, we can reveal a common scheme consisting of three ke…