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20242026
most citedGeometry Informed Tokenization of Molecules for Language Model Generation

1 citations · 2 across the 7 of their papers we have counts for

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cs.LG2026

AssayBench: An Assay-Level Virtual Cell Benchmark for LLMs and Agents

Edward De Brouwer, Carl Edwards, Alexander Wu +9

Recent advances in machine learning and large-scale biological data collections have revived the prospect of building a virtual cell, a computational model of cellular behavior tha…

cs.LG2025

Language Models for Controllable DNA Sequence Design

Xingyu Su, Xiner Li, Yuchao Lin +3

We consider controllable DNA sequence design, where sequences are generated by conditioning on specific biological properties. While language models (LMs) such as GPT and BERT have…

cs.LG2025

Iterative Distillation for Reward-Guided Fine-Tuning of Diffusion Models in Biomolecular Design

Xingyu Su, Xiner Li, Masatoshi Uehara +7

We address the problem of fine-tuning diffusion models for reward-guided generation in biomolecular design. While diffusion models have proven highly effective in modeling complex,…

cs.LG20251 cited

Curriculum Reinforcement Learning from Easy to Hard Tasks Improves LLM Reasoning

Shubham Parashar, Shurui Gui, Xiner Li +8

We aim to improve the reasoning capabilities of language models via reinforcement learning (RL). Recent RL post-trained models like DeepSeek-R1 have demonstrated reasoning abilitie…

cs.LG2025

Dynamic Search for Inference-Time Alignment in Diffusion Models

Xiner Li, Masatoshi Uehara, Xingyu Su +5

Diffusion models have shown promising generative capabilities across diverse domains, yet aligning their outputs with desired reward functions remains a challenge, particularly in…

cs.LG20254 cited

Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation

Keqiang Yan, Xiner Li, Hongyi Ling +8

We consider the problem of crystal materials generation using language models (LMs). A key step is to convert 3D crystal structures into 1D sequences to be processed by LMs. Prior…