activity
20232025
most citedTowards 3D Molecule-Text Interpretation in Language Models

8 citations · 21 across the 12 of their papers we have counts for

collaborators

14 papers

cs.CL2025

Look Back to Reason Forward: Revisitable Memory for Long-Context LLM Agents

Yaorui Shi, Yuxin Chen, Siyuan Wang +5

Large language models face challenges in long-context question answering, where key evidence of a query may be dispersed across millions of tokens. Existing works equip large langu…

cs.LG2025

Interpretable Reward Model via Sparse Autoencoder

Shuyi Zhang, Wei Shi, Sihang Li +3

Large language models (LLMs) have been widely deployed across numerous fields. Reinforcement Learning from Human Feedback (RLHF) leverages reward models (RMs) as proxies for human…

cs.CL2025

SAFER: Probing Safety in Reward Models with Sparse Autoencoder

Wei Shi, Ziyuan Xie, Sihang Li +1

Reinforcement learning from human feedback (RLHF) is a key paradigm for aligning large language models (LLMs) with human values, yet the reward models at its core remain largely op…

cs.CL2025

Search and Refine During Think: Facilitating Knowledge Refinement for Improved Retrieval-Augmented Reasoning

Yaorui Shi, Sihang Li, Chang Wu +5

Large language models have demonstrated impressive reasoning capabilities but are inherently limited by their knowledge reservoir. Retrieval-augmented reasoning mitigates this limi…

cs.LG2025

Towards Unified and Lossless Latent Space for 3D Molecular Latent Diffusion Modeling

Yanchen Luo, Zhiyuan Liu, Yi Zhao +6

3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordi…

cs.LG2025

Route Sparse Autoencoder to Interpret Large Language Models

Wei Shi, Sihang Li, Tao Liang +4

Mechanistic interpretability of large language models (LLMs) aims to uncover the internal processes of information propagation and reasoning. Sparse autoencoders (SAEs) have demons…

q-bio.QM2025★ 2 cited

NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation

Zhiyuan Liu, Yanchen Luo, Han Huang +7

3D molecule generation is crucial for drug discovery and material design. While prior efforts focus on 3D diffusion models for their benefits in modeling continuous 3D conformers,…

cs.IR2025

Multi-Grained Patch Training for Efficient LLM-based Recommendation

Jiayi Liao, Ruobing Xie, Sihang Li +4

Large Language Models (LLMs) have emerged as a new paradigm for recommendation by converting interacted item history into language modeling. However, constrained by the limited con…

cs.LG2024

Text-guided Diffusion Model for 3D Molecule Generation

Yanchen Luo, Junfeng Fang, Sihang Li +5

The de novo generation of molecules with targeted properties is crucial in biology, chemistry, and drug discovery. Current generative models are limited to using single property va…

q-bio.QM2024★ 2 cited

ReactXT: Understanding Molecular "Reaction-ship" via Reaction-Contextualized Molecule-Text Pretraining

Zhiyuan Liu, Yaorui Shi, An Zhang +5

Molecule-text modeling, which aims to facilitate molecule-relevant tasks with a textual interface and textual knowledge, is an emerging research direction. Beyond single molecules,…

q-bio.QM2024★ 3 cited

MolTC: Towards Molecular Relational Modeling In Language Models

Junfeng Fang, Shuai Zhang, Chang Wu +6

Molecular Relational Learning (MRL), aiming to understand interactions between molecular pairs, plays a pivotal role in advancing biochemical research. Recently, the adoption of la…

cs.LG2024★ 8 cited

Towards 3D Molecule-Text Interpretation in Language Models

Sihang Li, Zhiyuan Liu, Yanchen Luo +5

Language Models (LMs) have greatly influenced diverse domains. However, their inherent limitation in comprehending 3D molecular structures has considerably constrained their potent…

cs.IR2023★ 5 cited

LLaRA: Large Language-Recommendation Assistant

Jiayi Liao, Sihang Li, Zhengyi Yang +4

Sequential recommendation aims to predict users' next interaction with items based on their past engagement sequence. Recently, the advent of Large Language Models (LLMs) has spark…

cs.CL2023★ 1 cited

MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter

Zhiyuan Liu, Sihang Li, Yanchen Luo +5

Language Models (LMs) have demonstrated impressive molecule understanding ability on various 1D text-related tasks. However, they inherently lack 2D graph perception - a critical a…