Structural Reasoning Improves Molecular Understanding of LLM
Fuente:
arXiv
Saved in:
| Main Authors: | Jang, Yunhui, Kim, Jaehyung, Ahn, Sungsoo |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Improving Chemical Understanding of LLMs via SMILES Parsing
by: Jang, Yunhui, et al.
Published: (2025)
by: Jang, Yunhui, et al.
Published: (2025)
A Simple and Scalable Representation for Graph Generation
by: Jang, Yunhui, et al.
Published: (2023)
by: Jang, Yunhui, et al.
Published: (2023)
Graph Generation with $K^2$-trees
by: Jang, Yunhui, et al.
Published: (2023)
by: Jang, Yunhui, et al.
Published: (2023)
INDIBATOR: Diverse and Fact-Grounded Individuality for Multi-Agent Debate in Molecular Discovery
by: Jang, Yunhui, et al.
Published: (2026)
by: Jang, Yunhui, et al.
Published: (2026)
Can LLMs Generate Diverse Molecules? Towards Alignment with Structural Diversity
by: Jang, Hyosoon, et al.
Published: (2024)
by: Jang, Hyosoon, et al.
Published: (2024)
MT-Mol:Multi Agent System with Tool-based Reasoning for Molecular Optimization
by: Kim, Hyomin, et al.
Published: (2025)
by: Kim, Hyomin, et al.
Published: (2025)
A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning
by: Jang, Hyosoon, et al.
Published: (2026)
by: Jang, Hyosoon, et al.
Published: (2026)
EPIC: Graph Augmentation with Edit Path Interpolation via Learnable Cost
by: Heo, Jaeseung, et al.
Published: (2023)
by: Heo, Jaeseung, et al.
Published: (2023)
Latent Veracity Inference for Identifying Errors in Stepwise Reasoning
by: Kim, Minsu, et al.
Published: (2025)
by: Kim, Minsu, et al.
Published: (2025)
Learning to Correct for QA Reasoning with Black-box LLMs
by: Kim, Jaehyung, et al.
Published: (2024)
by: Kim, Jaehyung, et al.
Published: (2024)
Training-free LLM Verification via Recycling Few-shot Examples
by: Lee, Dongseok, et al.
Published: (2025)
by: Lee, Dongseok, et al.
Published: (2025)
Self-Training Large Language Models with Confident Reasoning
by: Jang, Hyosoon, et al.
Published: (2025)
by: Jang, Hyosoon, et al.
Published: (2025)
Multimodal Crystal Flow: Any-to-Any Modality Generation for Unified Crystal Modeling
by: Seong, Kiyoung, et al.
Published: (2026)
by: Seong, Kiyoung, et al.
Published: (2026)
Hybrid Neural Representations for Spherical Data
by: Kim, Hyomin, et al.
Published: (2024)
by: Kim, Hyomin, et al.
Published: (2024)
Pessimistic Backward Policy for GFlowNets
by: Jang, Hyosoon, et al.
Published: (2024)
by: Jang, Hyosoon, et al.
Published: (2024)
Enhancing Instruction Following of LLMs via Activation Steering with Dynamic Rejection
by: Kang, Minjae, et al.
Published: (2026)
by: Kang, Minjae, et al.
Published: (2026)
REBIND: Enhancing ground-state molecular conformation via force-based graph rewiring
by: Kim, Taewon, et al.
Published: (2024)
by: Kim, Taewon, et al.
Published: (2024)
Enhancing LLM Agent Safety via Causal Influence Prompting
by: Hahm, Dongyoon, et al.
Published: (2025)
by: Hahm, Dongyoon, et al.
Published: (2025)
Spread Preference Annotation: Direct Preference Judgment for Efficient LLM Alignment
by: Kim, Dongyoung, et al.
Published: (2024)
by: Kim, Dongyoung, et al.
Published: (2024)
Optimized Feature Generation for Tabular Data via LLMs with Decision Tree Reasoning
by: Nam, Jaehyun, et al.
Published: (2024)
by: Nam, Jaehyun, et al.
Published: (2024)
Towards Autonomous Mechanistic Reasoning in Virtual Cells
by: Jang, Yunhui, et al.
Published: (2026)
by: Jang, Yunhui, et al.
Published: (2026)
Sampling Decisions
by: Chertkov, Michael, et al.
Published: (2025)
by: Chertkov, Michael, et al.
Published: (2025)
Learning from the Undesirable: Robust Adaptation of Language Models without Forgetting
by: Nam, Yunhun, et al.
Published: (2025)
by: Nam, Yunhun, et al.
Published: (2025)
Few-shot Personalization of LLMs with Mis-aligned Responses
by: Kim, Jaehyung, et al.
Published: (2024)
by: Kim, Jaehyung, et al.
Published: (2024)
Gap-K%: Measuring Top-1 Prediction Gap for Detecting Pretraining Data
by: Kwak, Minseo, et al.
Published: (2026)
by: Kwak, Minseo, et al.
Published: (2026)
Mol-Debate: Multi-Agent Debate Improves Structural Reasoning in Molecular Design
by: Zhang, Wengyu, et al.
Published: (2026)
by: Zhang, Wengyu, et al.
Published: (2026)
Debiasing Online Preference Learning via Preference Feature Preservation
by: Kim, Dongyoung, et al.
Published: (2025)
by: Kim, Dongyoung, et al.
Published: (2025)
Hierarchical Context Merging: Better Long Context Understanding for Pre-trained LLMs
by: Song, Woomin, et al.
Published: (2024)
by: Song, Woomin, et al.
Published: (2024)
Verifying Meta-Awareness via Predictive Rewards in Reasoning Models
by: Kim, Yoonjeon, et al.
Published: (2025)
by: Kim, Yoonjeon, et al.
Published: (2025)
Learning Flexible Forward Trajectories for Masked Molecular Diffusion
by: Seo, Hyunjin, et al.
Published: (2025)
by: Seo, Hyunjin, et al.
Published: (2025)
Mol-AIR: Molecular Reinforcement Learning with Adaptive Intrinsic Rewards for Goal-directed Molecular Generation
by: Park, Jinyeong, et al.
Published: (2024)
by: Park, Jinyeong, et al.
Published: (2024)
TIDE: Temporal Incremental Draft Engine for Self-Improving LLM Inference
by: Park, Jiyoung, et al.
Published: (2026)
by: Park, Jiyoung, et al.
Published: (2026)
MALT: Improving Reasoning with Multi-Agent LLM Training
by: Motwani, Sumeet Ramesh, et al.
Published: (2024)
by: Motwani, Sumeet Ramesh, et al.
Published: (2024)
Entropy-Guided Dynamic Tokens for Graph-LLM Alignment in Molecular Understanding
by: Jing, Zihao, et al.
Published: (2026)
by: Jing, Zihao, et al.
Published: (2026)
Flow-of-Options: Diversified and Improved LLM Reasoning by Thinking Through Options
by: Nair, Lakshmi, et al.
Published: (2025)
by: Nair, Lakshmi, et al.
Published: (2025)
RetroReasoner: A Reasoning LLM for Strategic Retrosynthesis Prediction
by: Ko, Hanbum, et al.
Published: (2026)
by: Ko, Hanbum, et al.
Published: (2026)
Reference-guided Policy Optimization for Molecular Optimization via LLM Reasoning
by: Li, Xuan, et al.
Published: (2026)
by: Li, Xuan, et al.
Published: (2026)
How Much Thinking is Enough? Quantifying and Understanding Redundancy in LLM Reasoning
by: Zhai, Zhiyuan, et al.
Published: (2026)
by: Zhai, Zhiyuan, et al.
Published: (2026)
AgentKit: Structured LLM Reasoning with Dynamic Graphs
by: Wu, Yue, et al.
Published: (2024)
by: Wu, Yue, et al.
Published: (2024)
Scaling-Aware Adapter for Structure-Grounded LLM Reasoning
by: Jing, Zihao, et al.
Published: (2026)
by: Jing, Zihao, et al.
Published: (2026)
Similar Items
-
Improving Chemical Understanding of LLMs via SMILES Parsing
by: Jang, Yunhui, et al.
Published: (2025) -
A Simple and Scalable Representation for Graph Generation
by: Jang, Yunhui, et al.
Published: (2023) -
Graph Generation with $K^2$-trees
by: Jang, Yunhui, et al.
Published: (2023) -
INDIBATOR: Diverse and Fact-Grounded Individuality for Multi-Agent Debate in Molecular Discovery
by: Jang, Yunhui, et al.
Published: (2026) -
Can LLMs Generate Diverse Molecules? Towards Alignment with Structural Diversity
by: Jang, Hyosoon, et al.
Published: (2024)