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

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

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8 papers · 1 filter

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…