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20232026
most citedMolCRAFT: Structure-Based Drug Design in Continuous Parameter Space

10 citations · 22 across the 16 of their papers we have counts for

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9 papers · 1 filter

cs.LG2026

Open-MOPD: Diagnosing and Fixing Capability Imbalance in Multi-Teacher On-Policy Distillation

Huan-ang Gao, Haohan Chi, Yong Yan +7

Multi-teacher on-policy distillation (M-OPD) has emerged as a promising paradigm for consolidating domain-specialized reinforcement learning (RL) experts into a single generalist s…

cs.LG2026

Beyond Euclidean Clipping: Overcoming Exploration Collapse in LLM RL via Riemannian Isometric Policy Optimization

Zhicheng Cai, Xinyuan Guo, Hanlin Wu +4

Reinforcement learning (RL) has become a dominant paradigm for enhancing LLMs' reasoning capabilities. However, RL algorithms with PPO-Clip are inherently limited by exploration co…

cs.LG2026

Weak-to-Strong Generalization via Direct On-Policy Distillation

Shiyuan Feng, Huan-ang Gao, Haohan Chi +7

Reinforcement learning with verifiable rewards (RLVR) is a powerful recipe for improving language-model reasoning, but it is expensive to repeat on every new strong model because t…

cs.LG2026

Spectral Rewiring for Exploration, Purification, and Model Merging

Zhilong Zhang, Hongli Yu, Huan-ang Gao +5

Reinforcement learning has become a standard post-training recipe for large language models, but dense full-parameter updates create two deployment-relevant bottlenecks: suppressed…

cs.LG2026

DCFold: Efficient Protein Structure Generation with Single Forward Pass

Zhe Zhang, Yuanning Feng, Yuxuan Song +3

AlphaFold3 introduces a diffusion-based architecture that elevates protein structure prediction to all-atom resolution with improved accuracy. This state-of-the-art performance has…

cs.LG2025

ShortListing Model: A Streamlined SimplexDiffusion for Discrete Variable Generation

Yuxuan Song, Zhe Zhang, Yu Pei +7

Generative modeling of discrete variables is challenging yet crucial for applications in natural language processing and biological sequence design. We introduce the Shortlisting M…

cs.LG2025★ 2 cited

A Periodic Bayesian Flow for Material Generation

Hanlin Wu, Yuxuan Song, Jingjing Gong +6

Generative modeling of crystal data distribution is an important yet challenging task due to the unique periodic physical symmetry of crystals. Diffusion-based methods have shown e…

cs.LG2023★ 2 cited

Equivariant Flow Matching with Hybrid Probability Transport

Yuxuan Song, Jingjing Gong, Minkai Xu +5

The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates). Deep generative models, especially…

cs.LG2023★ 1 cited

RetroDiff: Retrosynthesis as Multi-stage Distribution Interpolation

Yiming Wang, Yuxuan Song, Yiqun Wang +4

Retrosynthesis poses a key challenge in biopharmaceuticals, aiding chemists in finding appropriate reactant molecules for given product molecules. With reactants and products repre…