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20242026
most citedGenerative Modeling Enables Molecular Structure Retrieval from Coulomb Explosion Imaging

4 citations · 10 across the 14 of their papers we have counts for

collaborators

15 papers

cs.AI2026

SciTrace: Trajectory-Aware Safety Reasoning for Scientific Discovery Agents

Tanush Swaminathan, Runmin Jiang, Letian Zhang +1

LLM-based scientific agents have shown strong capacity for autonomous research, yet their safety layers remain structurally divorced from core reasoning: they inspect pipeline outp…

cs.CL2025

Principled RL for Diffusion LLMs Emerges from a Sequence-Level Perspective

Jingyang Ou, Jiaqi Han, Minkai Xu +5

Reinforcement Learning (RL) has proven highly effective for autoregressive language models, but adapting these methods to diffusion large language models (dLLMs) presents fundament…

physics.chem-ph2025★ 4 cited

Generative Modeling Enables Molecular Structure Retrieval from Coulomb Explosion Imaging

Xiang Li, Till Jahnke, Rebecca Boll +12

Capturing the structural changes that molecules undergo during chemical reactions in real space and time is a long-standing dream and an essential prerequisite for understanding an…

cs.CL2025

RFG: Self-Improving Diffusion Large Language Models with Reward-Free Guidance

Tianlang Chen, Minkai Xu, Jure Leskovec +1

Diffusion Large Language Models (dLLMs) have shown strong reasoning capabilities, yet further improving them typically requires costly post-training with additional data and superv…

cs.LG2025

CHORDS: Diffusion Sampling Accelerator with Multi-core Hierarchical ODE Solvers

Jiaqi Han, Haotian Ye, Puheng Li +3

Diffusion-based generative models have become dominant generators of high-fidelity images and videos but remain limited by their computationally expensive inference procedures. Exi…

cs.CV2025

Divergence Minimization Preference Optimization for Diffusion Model Alignment

Binxu Li, Minkai Xu, Jiaqi Han +2

Diffusion models have achieved remarkable success in generating realistic and versatile images from text prompts. Inspired by the recent advancements of language models, there is a…

cs.LG2025

Discrete Diffusion Trajectory Alignment via Stepwise Decomposition

Jiaqi Han, Austin Wang, Minkai Xu +6

Discrete diffusion models have demonstrated great promise in modeling various sequence data, ranging from human language to biological sequences. Inspired by the success of RL in l…

cs.LG2025

RelDiff: Relational Data Generative Modeling with Graph-Based Diffusion Models

Valter Hudovernik, Minkai Xu, Juntong Shi +4

Real-world databases are predominantly relational, comprising multiple interlinked tables that contain complex structural and statistical dependencies. Learning generative models o…

cs.CV2024★ 1 cited

Geometric Trajectory Diffusion Models

Jiaqi Han, Minkai Xu, Aaron Lou +2

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. H…

cs.CV2024

Trans4D: Realistic Geometry-Aware Transition for Compositional Text-to-4D Synthesis

Bohan Zeng, Ling Yang, Siyu Li +9

Recent advances in diffusion models have demonstrated exceptional capabilities in image and video generation, further improving the effectiveness of 4D synthesis. Existing 4D gener…

cs.CL2024

-PO: Generalizing Preference Optimization with -divergence Minimization

Jiaqi Han, Mingjian Jiang, Yuxuan Song +2

Preference optimization has made significant progress recently, with numerous methods developed to align language models with human preferences. This paper introduces -divergenc…

cs.CL2024★ 1 cited

Energy-Based Diffusion Language Models for Text Generation

Minkai Xu, Tomas Geffner, Karsten Kreis +5

Despite remarkable progress in autoregressive language models, alternative generative paradigms beyond left-to-right generation are still being actively explored. Discrete diffusio…

cs.LG2024★ 3 cited

TabDiff: a Mixed-type Diffusion Model for Tabular Data Generation

Juntong Shi, Minkai Xu, Harper Hua +3

Synthesizing high-quality tabular data is an important topic in many data science tasks, ranging from dataset augmentation to privacy protection. However, developing expressive gen…

cs.CL2024★ 1 cited

SuperCorrect: Advancing Small LLM Reasoning with Thought Template Distillation and Self-Correction

Ling Yang, Zhaochen Yu, Tianjun Zhang +4

Large language models (LLMs) like GPT-4, DeepSeek-R1, and ReasonFlux have shown significant improvements in various reasoning tasks. However, smaller LLMs still struggle with compl…

cs.LG2024

TFG: Unified Training-Free Guidance for Diffusion Models

Haotian Ye, Haowei Lin, Jiaqi Han +6

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desira…