8 papers
UNIFUSION: Adapting Autoregressive Language Models into Discrete Diffusion under a Unified Reverse-Rate Objective
Xiaoyi Jiang, Jingyuan Li, Yixuan Jiang +4
Existing methods mainly adapt pretrained autoregressive (AR) language models to masked diffusion, whereas we directly adapt them to uniform-noise diffusion, where every token remai…
Mean-to-Score Discrete Diffusion: Posterior-Mean Denoisers for Score Entropy
Jingyuan Li, Xiaoyi Jiang, Yixuan Jiang +4
Score Entropy Discrete Diffusion (SEDD) parameterizes discrete reverse processes with unconstrained positive score ratios. While positivity guarantees nonnegative reverse jump rate…
OLEDLM: A Unified Language Model for OLED Molecular Design
Fukang Wen, Yuchong Tang, Jingyuan Li +9
The development of organic light-emitting diode (OLED) materials faces the compounded challenges of an astronomically large chemical space, stringent quantum-chemical constraints,…
Neural Continuous-Time Markov Chain: Discrete Diffusion via Decoupled Jump Timing and Direction
Jingyuan Li, Xiaoyi Jiang, Fukang Wen +5
Discrete diffusion models based on continuous-time Markov chains (CTMCs) have shown strong performance on language and discrete data generation, yet existing approaches typically p…
Deep-Picard Iteration for Space-time Fractional Diffusion PDEs
Zhijun Zeng, Zhitong Chen, Ling Qin +1
We propose a Deep-Picard iteration framework for high-dimensional nonlinear space-time fractional diffusion equations.The method is based on a nonlinear fractional Feynman--Kac fix…
Potential Score Matching: Debiasing Molecular Structure Sampling with Potential Energy Guidance
Liya Guo, Zun Wang, Chang Liu +3
The ensemble average of physical properties of molecules is closely related to the distribution of molecular conformations, and sampling such distributions is a fundamental challen…