8 citations · 16 across the 10 of their papers we have counts for
10 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,…
Constant-Target Energy Matching: A Unified Framework for Continuous and Discrete Density Estimation
Zhijun Zeng, Yixuan Jiang, Pipi Hu +1
Density estimation is a central primitive in probabilistic modeling, yet continuous, discrete, and mixed-variable domains are often treated by separate objectives, limiting the abi…
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…
Drifting to Boltzmann: Million-Fold Acceleration in Boltzmann Sampling with Force-Guided Drifting
Pipi Hu
Sampling molecular conformations from the Boltzmann distribution is essential for computational chemistry, but iterative diffusion methods are prohibitively slow. Drifting Models o…
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…
UniGenX: a unified generative foundation model that couples sequence, structure and function to accelerate scientific design across proteins, molecules and materials
Gongbo Zhang, Yanting Li, Renqian Luo +31
Function in natural systems arises from one-dimensional sequences forming three-dimensional structures with specific properties. However, current generative models suffer from crit…
HybriDNA: A Hybrid Transformer-Mamba2 Long-Range DNA Language Model
Mingqian Ma, Guoqing Liu, Chuan Cao +12
Advances in natural language processing and large language models have sparked growing interest in modeling DNA, often referred to as the "language of life". However, DNA modeling…
DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies
Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang +89
In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scient…